6BZ8

Thermus thermophilus 70S containing 16S G347U point mutation and near-cognate ASL Leucine in A site

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.74 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.204 
  • R-Value Observed: 0.205 

wwPDB Validation   3D Report Full Report


This is version 1.5 of the entry. See complete history. 


Literature

Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscoding.

Hoffer, E.D., Maehigashi, T., Fredrick, K., Dunham, C.M.

(2019) Nucleic Acids Res 47: 1557-1563

  • DOI: https://doi.org/10.1093/nar/gky1178
  • Primary Citation of Related Structures:  
    6BUW, 6BZ6, 6BZ7, 6BZ8

  • PubMed Abstract: 

    Decoding is thought to be governed by a conformational transition in the ribosome-open (off) to closed (on)-that occurs upon codon-anticodon pairing in the A site. Ribosomal ambiguity (ram) mutations increase miscoding and map to disparate regions, consistent with a role for ribosome dynamics in decoding, yet precisely how these mutations act has been unclear. Here, we solved crystal structures of 70S ribosomes harboring 16S ram mutations G299A and G347U in the absence A-site tRNA (A-tRNA) and in the presence of a near-cognate anticodon stem-loop (ASL). In the absence of an A-tRNA, each of the mutant ribosomes exhibits a partially closed (on) state. In the 70S-G347U structure, the 30S shoulder is rotated inward and intersubunit bridge B8 is disrupted. In the 70S-G299A structure, the 30S shoulder is rotated inward and decoding nucleotide G530 flips into the anti conformation. Both of these mutant ribosomes adopt the fully closed (on) conformation in the presence of near-cognate A-tRNA, just as they do with cognate A-tRNA. Thus, these ram mutations act by promoting the open (off) to closed (on) transition, albeit in somewhat distinct ways. This work reveals the functional importance of 30S shoulder rotation for productive aminoacylated-tRNA incorporation.

    • Organizational Affiliation: 

    Department of Biochemistry and Emory Antibiotic Resistance Center, Emory University School of Medicine, Atlanta, GA 30322, USA.


Macromolecules

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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S2B [auth QB],
FB [auth XB]		256Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S3C [auth QC],
GB [auth XC]		239Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S4D [auth QD],
HB [auth XD]		209Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S5E [auth QE],
IB [auth XE]		162Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S6F [auth QF],
JB [auth XF]		101Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S7G [auth QG],
KB [auth XG]		156Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S8H [auth QH],
LB [auth XH]		138Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S9I [auth QI],
MB [auth XI]		128Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S10J [auth QJ],
NB [auth XJ]		105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S11K [auth QK],
OB [auth XK]		129Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S12L [auth QL],
PB [auth XL]		132Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S13M [auth QM],
QB [auth XM]		126Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S14 type ZN [auth QN],
RB [auth XN]		61Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S15O [auth QO],
SB [auth XO]		89Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S16P [auth QP],
TB [auth XP]		88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S17Q [auth QQ],
UB [auth XQ]		105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S18R [auth QR],
VB [auth XR]		88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S19S [auth QS],
WB [auth XS]		93Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S20T [auth QT],
XB [auth XT]		106Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein ThxU [auth QU],
YB [auth XU]		27Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 27
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L2BA [auth RD],
FC [auth YD]		276Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L3CA [auth RE],
GC [auth YE]		206Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 29
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L4DA [auth RF],
HC [auth YF]		210Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L5EA [auth RG],
IC [auth YG]		182Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L6FA [auth RH],
JC [auth YH]		180Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L9GA [auth RI],
KC [auth YI]		148Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L13HA [auth RN],
LC [auth YN]		140Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L14IA [auth RO],
MC [auth YO]		122Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 35
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L15JA [auth RP],
NC [auth YP]		150Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 36
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L16KA [auth RQ],
OC [auth YQ]		141Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 37
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L17LA [auth RR],
PC [auth YR]		118Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 38
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L18MA [auth RS],
QC [auth YS]		112Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L19NA [auth RT],
RC [auth YT]		146Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L20OA [auth RU],
SC [auth YU]		118Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L21PA [auth RV],
TC [auth YV]		101Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 42
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L22QA [auth RW],
UC [auth YW]		113Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L23RA [auth RX],
VC [auth YX]		96Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L24SA [auth RY],
WC [auth YY]		110Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 45
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L25TA [auth RZ],
XC [auth YZ]		206Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 46
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L27UA [auth R0],
YC [auth Y0]		85Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L28VA [auth R1],
ZC [auth Y1]		98Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L29AD [auth Y2],
WA [auth R2]		72Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L30BD [auth Y3],
XA [auth R3]		60Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L31CD [auth Y4],
YA [auth R4]		71Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L32DD [auth Y5],
ZA [auth R5]		60Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L33AB [auth R6],
ED [auth Y6]		54Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L34BB [auth R7],
FD [auth Y7]		49Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L35CB [auth R8],
GD [auth Y8]		65Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L36DB [auth R9],
HD [auth Y9]		37Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 1
MoleculeChains LengthOrganismImage
16S rRNAA [auth QA],
EB [auth XA]		1,508Thermus thermophilus HB8
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Entity ID: 22
MoleculeChains LengthOrganismImage
tRNA fMetAC [auth XW],
V [auth QV],
W [auth QW],
ZB [auth XV]		77Escherichia coli
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Entity ID: 23
MoleculeChains LengthOrganismImage
messenger RNABC [auth XX],
X [auth QX]		25Escherichia coli
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Entity ID: 24
MoleculeChains LengthOrganismImage
ASL LeuCC [auth XY],
Y [auth QY]		17Escherichia coli
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Entity ID: 25
MoleculeChains LengthOrganismImage
23S rRNADC [auth YA],
Z [auth RA]		2,915Thermus thermophilus HB8
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Entity ID: 26
MoleculeChains LengthOrganismImage
5S rRNAAA [auth RB],
EC [auth YB]		122Thermus thermophilus HB8
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Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
SF4
Query on SF4
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DG [auth QD],
SEA [auth XD]		IRON/SULFUR CLUSTER
Fe4 S4
LJBDFODJNLIPKO-UHFFFAOYSA-N
ZN
Query on ZN
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EBB [auth YY]
GBA [auth RY]
GG [auth QN]
HBB [auth Y4]
IBB [auth Y5]
EBB [auth YY],
GBA [auth RY],
GG [auth QN],
HBB [auth Y4],
IBB [auth Y5],
KBA [auth R4],
KBB [auth Y6],
LBA [auth R5],
MBA [auth R6],
NBB [auth Y9],
OBA [auth R9],
WEA [auth XN]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
Query on MG
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AAA [auth RA]
AAB [auth YA]
ABA [auth RQ]
ABB [auth YQ]
ACA [auth XA]
AAA [auth RA],
AAB [auth YA],
ABA [auth RQ],
ABB [auth YQ],
ACA [auth XA],
ADA [auth XA],
AE [auth QA],
AEA [auth XA],
AF [auth QA],
AFA [auth XV],
AG [auth QA],
AGA [auth YA],
AH [auth RA],
AHA [auth YA],
AI [auth RA],
AIA [auth YA],
AJ [auth RA],
AJA [auth YA],
AK [auth RA],
AKA [auth YA],
AL [auth RA],
ALA [auth YA],
AM [auth RA],
AMA [auth YA],
AN [auth RA],
ANA [auth YA],
AO [auth RA],
AOA [auth YA],
AP [auth RA],
APA [auth YA],
AQ [auth RA],
AQA [auth YA],
AR [auth RA],
ARA [auth YA],
AS [auth RA],
ASA [auth YA],
AT [auth RA],
ATA [auth YA],
AU [auth RA],
AUA [auth YA],
AV [auth RA],
AVA [auth YA],
AW [auth RA],
AWA [auth YA],
AX [auth RA],
AXA [auth YA],
AY [auth RA],
AYA [auth YA],
AZ [auth RA],
AZA [auth YA],
BAA [auth RA],
BAB [auth YA],
BBA [auth RQ],
BBB [auth YX],
BCA [auth XA],
BDA [auth XA],
BE [auth QA],
BEA [auth XA],
BF [auth QA],
BFA [auth XV],
BG [auth QA],
BGA [auth YA],
BH [auth RA],
BHA [auth YA],
BI [auth RA],
BIA [auth YA],
BJ [auth RA],
BJA [auth YA],
BK [auth RA],
BKA [auth YA],
BL [auth RA],
BLA [auth YA],
BM [auth RA],
BMA [auth YA],
BN [auth RA],
BNA [auth YA],
BO [auth RA],
BOA [auth YA],
BP [auth RA],
BPA [auth YA],
BQ [auth RA],
BQA [auth YA],
BR [auth RA],
BRA [auth YA],
BS [auth RA],
BSA [auth YA],
BT [auth RA],
BTA [auth YA],
BU [auth RA],
BUA [auth YA],
BV [auth RA],
BVA [auth YA],
BW [auth RA],
BWA [auth YA],
BX [auth RA],
BXA [auth YA],
BY [auth RA],
BYA [auth YA],
BZ [auth RA],
BZA [auth YA],
CAA [auth RA],
CAB [auth YA],
CBA [auth RR],
CBB [auth YX],
CCA [auth XA],
CDA [auth XA],
CE [auth QA],
CEA [auth XA],
CF [auth QA],
CFA [auth XV],
CG [auth QC],
CGA [auth YA],
CH [auth RA],
CHA [auth YA],
CI [auth RA],
CIA [auth YA],
CJ [auth RA],
CJA [auth YA],
CK [auth RA],
CKA [auth YA],
CL [auth RA],
CLA [auth YA],
CM [auth RA],
CMA [auth YA],
CN [auth RA],
CNA [auth YA],
CO [auth RA],
COA [auth YA],
CP [auth RA],
CPA [auth YA],
CQ [auth RA],
CQA [auth YA],
CR [auth RA],
CRA [auth YA],
CS [auth RA],
CSA [auth YA],
CT [auth RA],
CTA [auth YA],
CU [auth RA],
CUA [auth YA],
CV [auth RA],
CVA [auth YA],
CW [auth RA],
CWA [auth YA],
CX [auth RA],
CXA [auth YA],
CY [auth RA],
CYA [auth YA],
CZ [auth RA],
CZA [auth YA],
DAA [auth RA],
DAB [auth YB],
DBA [auth RR],
DBB [auth YY],
DCA [auth XA],
DDA [auth XA],
DE [auth QA],
DEA [auth XA],
DF [auth QA],
DFA [auth XV],
DGA [auth YA],
DH [auth RA],
DHA [auth YA],
DI [auth RA],
DIA [auth YA],
DJ [auth RA],
DJA [auth YA],
DK [auth RA],
DKA [auth YA],
DL [auth RA],
DLA [auth YA],
DM [auth RA],
DMA [auth YA],
DN [auth RA],
DNA [auth YA],
DO [auth RA],
DOA [auth YA],
DP [auth RA],
DPA [auth YA],
DQ [auth RA],
DQA [auth YA],
DR [auth RA],
DRA [auth YA],
DS [auth RA],
DSA [auth YA],
DT [auth RA],
DTA [auth YA],
DU [auth RA],
DUA [auth YA],
DV [auth RA],
DVA [auth YA],
DW [auth RA],
DWA [auth YA],
DX [auth RA],
DXA [auth YA],
DY [auth RA],
DYA [auth YA],
DZ [auth RA],
DZA [auth YA],
EAA [auth RA],
EAB [auth YB],
EBA [auth RT],
ECA [auth XA],
EDA [auth XA],
EE [auth QA],
EEA [auth XA],
EF [auth QA],
EFA [auth XV],
EG [auth QF],
EGA [auth YA],
EH [auth RA],
EHA [auth YA],
EI [auth RA],
EIA [auth YA],
EJ [auth RA],
EJA [auth YA],
EK [auth RA],
EKA [auth YA],
EL [auth RA],
ELA [auth YA],
EM [auth RA],
EMA [auth YA],
EN [auth RA],
ENA [auth YA],
EO [auth RA],
EOA [auth YA],
EP [auth RA],
EPA [auth YA],
EQ [auth RA],
EQA [auth YA],
ER [auth RA],
ERA [auth YA],
ES [auth RA],
ESA [auth YA],
ET [auth RA],
ETA [auth YA],
EU [auth RA],
EUA [auth YA],
EV [auth RA],
EVA [auth YA],
EW [auth RA],
EWA [auth YA],
EX [auth RA],
EXA [auth YA],
EY [auth RA],
EYA [auth YA],
EZ [auth RA],
EZA [auth YA],
FAA [auth RA],
FAB [auth YB],
FBA [auth RY],
FBB [auth Y0],
FCA [auth XA],
FDA [auth XA],
FE [auth QA],
FEA [auth XA],
FF [auth QA],
FFA [auth XV],
FG [auth QH],
FGA [auth YA],
FH [auth RA],
FHA [auth YA],
FI [auth RA],
FIA [auth YA],
FJ [auth RA],
FJA [auth YA],
FK [auth RA],
FKA [auth YA],
FL [auth RA],
FLA [auth YA],
FM [auth RA],
FMA [auth YA],
FN [auth RA],
FNA [auth YA],
FO [auth RA],
FOA [auth YA],
FP [auth RA],
FPA [auth YA],
FQ [auth RA],
FQA [auth YA],
FR [auth RA],
FRA [auth YA],
FS [auth RA],
FSA [auth YA],
FT [auth RA],
FTA [auth YA],
FU [auth RA],
FUA [auth YA],
FV [auth RA],
FVA [auth YA],
FW [auth RA],
FWA [auth YA],
FX [auth RA],
FXA [auth YA],
FY [auth RA],
FYA [auth YA],
FZ [auth RA],
FZA [auth YA],
GAA [auth RA],
GAB [auth YB],
GBB [auth Y0],
GCA [auth XA],
GDA [auth XA],
GE [auth QA],
GEA [auth XA],
GF [auth QA],
GFA [auth XV],
GGA [auth YA],
GH [auth RA],
GHA [auth YA],
GI [auth RA],
GIA [auth YA],
GJ [auth RA],
GJA [auth YA],
GK [auth RA],
GKA [auth YA],
GL [auth RA],
GLA [auth YA],
GM [auth RA],
GMA [auth YA],
GN [auth RA],
GNA [auth YA],
GO [auth RA],
GOA [auth YA],
GP [auth RA],
GPA [auth YA],
GQ [auth RA],
GQA [auth YA],
GR [auth RA],
GRA [auth YA],
GS [auth RA],
GSA [auth YA],
GT [auth RA],
GTA [auth YA],
GU [auth RA],
GUA [auth YA],
GV [auth RA],
GVA [auth YA],
GW [auth RA],
GWA [auth YA],
GX [auth RA],
GXA [auth YA],
GY [auth RA],
GYA [auth YA],
GZ [auth RA],
GZA [auth YA],
HAA [auth RA],
HAB [auth YB],
HBA [auth R0],
HCA [auth XA],
HDA [auth XA],
HE [auth QA],
HEA [auth XA],
HF [auth QA],
HFA [auth XX],
HG [auth QV],
HGA [auth YA],
HH [auth RA],
HHA [auth YA],
HI [auth RA],
HIA [auth YA],
HJ [auth RA],
HJA [auth YA],
HK [auth RA],
HKA [auth YA],
HL [auth RA],
HLA [auth YA],
HM [auth RA],
HMA [auth YA],
HN [auth RA],
HNA [auth YA],
HO [auth RA],
HOA [auth YA],
HP [auth RA],
HPA [auth YA],
HQ [auth RA],
HQA [auth YA],
HR [auth RA],
HRA [auth YA],
HS [auth RA],
HSA [auth YA],
HT [auth RA],
HTA [auth YA],
HU [auth RA],
HUA [auth YA],
HV [auth RA],
HVA [auth YA],
HW [auth RA],
HWA [auth YA],
HX [auth RA],
HXA [auth YA],
HY [auth RA],
HYA [auth YA],
HZ [auth RA],
HZA [auth YA],
IAA [auth RB],
IAB [auth YB],
IBA [auth R0],
ICA [auth XA],
ID [auth QA],
IDA [auth XA],
IE [auth QA],
IEA [auth XA],
IF [auth QA],
IFA [auth YA],
IG [auth QV],
IGA [auth YA],
IH [auth RA],
IHA [auth YA],
II [auth RA],
IIA [auth YA],
IJ [auth RA],
IJA [auth YA],
IK [auth RA],
IKA [auth YA],
IL [auth RA],
ILA [auth YA],
IM [auth RA],
IMA [auth YA],
IN [auth RA],
INA [auth YA],
IO [auth RA],
IOA [auth YA],
IP [auth RA],
IPA [auth YA],
IQ [auth RA],
IQA [auth YA],
IR [auth RA],
IRA [auth YA],
IS [auth RA],
ISA [auth YA],
IT [auth RA],
ITA [auth YA],
IU [auth RA],
IUA [auth YA],
IV [auth RA],
IVA [auth YA],
IW [auth RA],
IWA [auth YA],
IX [auth RA],
IXA [auth YA],
IY [auth RA],
IYA [auth YA],
IZ [auth RA],
IZA [auth YA],
JAA [auth RB],
JAB [auth YB],
JBA [auth R0],
JBB [auth Y5],
JCA [auth XA],
JD [auth QA],
JDA [auth XA],
JE [auth QA],
JEA [auth XA],
JF [auth QA],
JFA [auth YA],
JG [auth QV],
JGA [auth YA],
JH [auth RA],
JHA [auth YA],
JI [auth RA],
JIA [auth YA],
JJ [auth RA],
JJA [auth YA],
JK [auth RA],
JKA [auth YA],
JL [auth RA],
JLA [auth YA],
JM [auth RA],
JMA [auth YA],
JN [auth RA],
JNA [auth YA],
JO [auth RA],
JOA [auth YA],
JP [auth RA],
JPA [auth YA],
JQ [auth RA],
JQA [auth YA],
JR [auth RA],
JRA [auth YA],
JS [auth RA],
JSA [auth YA],
JT [auth RA],
JTA [auth YA],
JU [auth RA],
JUA [auth YA],
JV [auth RA],
JVA [auth YA],
JW [auth RA],
JWA [auth YA],
JX [auth RA],
JXA [auth YA],
JY [auth RA],
JYA [auth YA],
JZ [auth RA],
JZA [auth YA],
KAA [auth RB],
KAB [auth YB],
KCA [auth XA],
KD [auth QA],
KDA [auth XA],
KE [auth QA],
KEA [auth XA],
KF [auth QA],
KFA [auth YA],
KG [auth QV],
KGA [auth YA],
KH [auth RA],
KHA [auth YA],
KI [auth RA],
KIA [auth YA],
KJ [auth RA],
KJA [auth YA],
KK [auth RA],
KKA [auth YA],
KL [auth RA],
KLA [auth YA],
KM [auth RA],
KMA [auth YA],
KN [auth RA],
KNA [auth YA],
KO [auth RA],
KOA [auth YA],
KP [auth RA],
KPA [auth YA],
KQ [auth RA],
KQA [auth YA],
KR [auth RA],
KRA [auth YA],
KS [auth RA],
KSA [auth YA],
KT [auth RA],
KTA [auth YA],
KU [auth RA],
KUA [auth YA],
KV [auth RA],
KVA [auth YA],
KW [auth RA],
KWA [auth YA],
KX [auth RA],
KXA [auth YA],
KY [auth RA],
KYA [auth YA],
KZ [auth RA],
KZA [auth YA],
LAA [auth RB],
LAB [auth YB],
LBB [auth Y7],
LCA [auth XA],
LD [auth QA],
LDA [auth XA],
LE [auth QA],
LEA [auth XA],
LF [auth QA],
LFA [auth YA],
LG [auth QV],
LGA [auth YA],
LH [auth RA],
LHA [auth YA],
LI [auth RA],
LIA [auth YA],
LJ [auth RA],
LJA [auth YA],
LK [auth RA],
LKA [auth YA],
LL [auth RA],
LLA [auth YA],
LM [auth RA],
LMA [auth YA],
LN [auth RA],
LNA [auth YA],
LO [auth RA],
LOA [auth YA],
LP [auth RA],
LPA [auth YA],
LQ [auth RA],
LQA [auth YA],
LR [auth RA],
LRA [auth YA],
LS [auth RA],
LSA [auth YA],
LT [auth RA],
LTA [auth YA],
LU [auth RA],
LUA [auth YA],
LV [auth RA],
LVA [auth YA],
LW [auth RA],
LWA [auth YA],
LX [auth RA],
LXA [auth YA],
LY [auth RA],
LYA [auth YA],
LZ [auth RA],
LZA [auth YA],
MAA [auth RB],
MAB [auth YB],
MBB [auth Y8],
MCA [auth XA],
MD [auth QA],
MDA [auth XA],
ME [auth QA],
MEA [auth XA],
MF [auth QA],
MFA [auth YA],
MG [auth QV],
MGA [auth YA],
MH [auth RA],
MHA [auth YA],
MI [auth RA],
MIA [auth YA],
MJ [auth RA],
MJA [auth YA],
MK [auth RA],
MKA [auth YA],
ML [auth RA],
MLA [auth YA],
MM [auth RA],
MMA [auth YA],
MN [auth RA],
MNA [auth YA],
MO [auth RA],
MOA [auth YA],
MP [auth RA],
MPA [auth YA],
MQ [auth RA],
MQA [auth YA],
MR [auth RA],
MRA [auth YA],
MS [auth RA],
MSA [auth YA],
MT [auth RA],
MTA [auth YA],
MU [auth RA],
MUA [auth YA],
MV [auth RA],
MVA [auth YA],
MW [auth RA],
MWA [auth YA],
MX [auth RA],
MXA [auth YA],
MY [auth RA],
MYA [auth YA],
MZ [auth RA],
MZA [auth YA],
NAA [auth RB],
NAB [auth YB],
NBA [auth R8],
NCA [auth XA],
ND [auth QA],
NDA [auth XA],
NE [auth QA],
NEA [auth XA],
NF [auth QA],
NFA [auth YA],
NG [auth QX],
NGA [auth YA],
NH [auth RA],
NHA [auth YA],
NI [auth RA],
NIA [auth YA],
NJ [auth RA],
NJA [auth YA],
NK [auth RA],
NKA [auth YA],
NL [auth RA],
NLA [auth YA],
NM [auth RA],
NMA [auth YA],
NN [auth RA],
NNA [auth YA],
NO [auth RA],
NOA [auth YA],
NP [auth RA],
NPA [auth YA],
NQ [auth RA],
NQA [auth YA],
NR [auth RA],
NRA [auth YA],
NS [auth RA],
NSA [auth YA],
NT [auth RA],
NTA [auth YA],
NU [auth RA],
NUA [auth YA],
NV [auth RA],
NVA [auth YA],
NW [auth RA],
NWA [auth YA],
NX [auth RA],
NXA [auth YA],
NY [auth RA],
NYA [auth YA],
NZ [auth RA],
NZA [auth YA],
OAA [auth RB],
OAB [auth YB],
OCA [auth XA],
OD [auth QA],
ODA [auth XA],
OE [auth QA],
OEA [auth XA],
OF [auth QA],
OFA [auth YA],
OG [auth QY],
OGA [auth YA],
OH [auth RA],
OHA [auth YA],
OI [auth RA],
OIA [auth YA],
OJ [auth RA],
OJA [auth YA],
OK [auth RA],
OKA [auth YA],
OL [auth RA],
OLA [auth YA],
OM [auth RA],
OMA [auth YA],
ON [auth RA],
ONA [auth YA],
OO [auth RA],
OOA [auth YA],
OP [auth RA],
OPA [auth YA],
OQ [auth RA],
OQA [auth YA],
OR [auth RA],
ORA [auth YA],
OS [auth RA],
OSA [auth YA],
OT [auth RA],
OTA [auth YA],
OU [auth RA],
OUA [auth YA],
OV [auth RA],
OVA [auth YA],
OW [auth RA],
OWA [auth YA],
OX [auth RA],
OXA [auth YA],
OY [auth RA],
OYA [auth YA],
OZ [auth RA],
OZA [auth YA],
PAA [auth RB],
PAB [auth YD],
PBA [auth XA],
PCA [auth XA],
PD [auth QA],
PDA [auth XA],
PE [auth QA],
PEA [auth XA],
PF [auth QA],
PFA [auth YA],
PG [auth RA],
PGA [auth YA],
PH [auth RA],
PHA [auth YA],
PI [auth RA],
PIA [auth YA],
PJ [auth RA],
PJA [auth YA],
PK [auth RA],
PKA [auth YA],
PL [auth RA],
PLA [auth YA],
PM [auth RA],
PMA [auth YA],
PN [auth RA],
PNA [auth YA],
PO [auth RA],
POA [auth YA],
PP [auth RA],
PPA [auth YA],
PQ [auth RA],
PQA [auth YA],
PR [auth RA],
PRA [auth YA],
PS [auth RA],
PSA [auth YA],
PT [auth RA],
PTA [auth YA],
PU [auth RA],
PUA [auth YA],
PV [auth RA],
PVA [auth YA],
PW [auth RA],
PWA [auth YA],
PX [auth RA],
PXA [auth YA],
PY [auth RA],
PYA [auth YA],
PZ [auth RA],
PZA [auth YA],
QAA [auth RB],
QAB [auth YE],
QBA [auth XA],
QCA [auth XA],
QD [auth QA],
QDA [auth XA],
QE [auth QA],
QEA [auth XA],
QF [auth QA],
QFA [auth YA],
QG [auth RA],
QGA [auth YA],
QH [auth RA],
QHA [auth YA],
QI [auth RA],
QIA [auth YA],
QJ [auth RA],
QJA [auth YA],
QK [auth RA],
QKA [auth YA],
QL [auth RA],
QLA [auth YA],
QM [auth RA],
QMA [auth YA],
QN [auth RA],
QNA [auth YA],
QO [auth RA],
QOA [auth YA],
QP [auth RA],
QPA [auth YA],
QQ [auth RA],
QQA [auth YA],
QR [auth RA],
QRA [auth YA],
QS [auth RA],
QSA [auth YA],
QT [auth RA],
QTA [auth YA],
QU [auth RA],
QUA [auth YA],
QV [auth RA],
QVA [auth YA],
QW [auth RA],
QWA [auth YA],
QX [auth RA],
QXA [auth YA],
QY [auth RA],
QYA [auth YA],
QZ [auth RA],
QZA [auth YA],
RAA [auth RB],
RAB [auth YE],
RBA [auth XA],
RCA [auth XA],
RD [auth QA],
RDA [auth XA],
RE [auth QA],
REA [auth XC],
RF [auth QA],
RFA [auth YA],
RG [auth RA],
RGA [auth YA],
RH [auth RA],
RHA [auth YA],
RI [auth RA],
RIA [auth YA],
RJ [auth RA],
RJA [auth YA],
RK [auth RA],
RKA [auth YA],
RL [auth RA],
RLA [auth YA],
RM [auth RA],
RMA [auth YA],
RN [auth RA],
RNA [auth YA],
RO [auth RA],
ROA [auth YA],
RP [auth RA],
RPA [auth YA],
RQ [auth RA],
RQA [auth YA],
RR [auth RA],
RRA [auth YA],
RS [auth RA],
RSA [auth YA],
RT [auth RA],
RTA [auth YA],
RU [auth RA],
RUA [auth YA],
RV [auth RA],
RVA [auth YA],
RW [auth RA],
RWA [auth YA],
RX [auth RA],
RXA [auth YA],
RY [auth RA],
RYA [auth YA],
RZ [auth RA],
RZA [auth YA],
SAA [auth RB],
SAB [auth YE],
SBA [auth XA],
SCA [auth XA],
SD [auth QA],
SDA [auth XA],
SE [auth QA],
SF [auth QA],
SFA [auth YA],
SG [auth RA],
SGA [auth YA],
SH [auth RA],
SHA [auth YA],
SI [auth RA],
SIA [auth YA],
SJ [auth RA],
SJA [auth YA],
SK [auth RA],
SKA [auth YA],
SL [auth RA],
SLA [auth YA],
SM [auth RA],
SMA [auth YA],
SN [auth RA],
SNA [auth YA],
SO [auth RA],
SOA [auth YA],
SP [auth RA],
SPA [auth YA],
SQ [auth RA],
SQA [auth YA],
SR [auth RA],
SRA [auth YA],
SS [auth RA],
SSA [auth YA],
ST [auth RA],
STA [auth YA],
SU [auth RA],
SUA [auth YA],
SV [auth RA],
SVA [auth YA],
SW [auth RA],
SWA [auth YA],
SX [auth RA],
SXA [auth YA],
SY [auth RA],
SYA [auth YA],
SZ [auth RA],
SZA [auth YA],
TAA [auth RE],
TAB [auth YO],
TBA [auth XA],
TCA [auth XA],
TD [auth QA],
TDA [auth XA],
TE [auth QA],
TEA [auth XE],
TF [auth QA],
TFA [auth YA],
TG [auth RA],
TGA [auth YA],
TH [auth RA],
THA [auth YA],
TI [auth RA],
TIA [auth YA],
TJ [auth RA],
TJA [auth YA],
TK [auth RA],
TKA [auth YA],
TL [auth RA],
TLA [auth YA],
TM [auth RA],
TMA [auth YA],
TN [auth RA],
TNA [auth YA],
TO [auth RA],
TOA [auth YA],
TP [auth RA],
TPA [auth YA],
TQ [auth RA],
TQA [auth YA],
TR [auth RA],
TRA [auth YA],
TS [auth RA],
TSA [auth YA],
TT [auth RA],
TTA [auth YA],
TU [auth RA],
TUA [auth YA],
TV [auth RA],
TVA [auth YA],
TW [auth RA],
TWA [auth YA],
TX [auth RA],
TXA [auth YA],
TY [auth RA],
TYA [auth YA],
TZ [auth RA],
TZA [auth YA],
UAA [auth RE],
UAB [auth YP],
UBA [auth XA],
UCA [auth XA],
UD [auth QA],
UDA [auth XA],
UE [auth QA],
UEA [auth XL],
UF [auth QA],
UFA [auth YA],
UG [auth RA],
UGA [auth YA],
UH [auth RA],
UHA [auth YA],
UI [auth RA],
UIA [auth YA],
UJ [auth RA],
UJA [auth YA],
UK [auth RA],
UKA [auth YA],
UL [auth RA],
ULA [auth YA],
UM [auth RA],
UMA [auth YA],
UN [auth RA],
UNA [auth YA],
UO [auth RA],
UOA [auth YA],
UP [auth RA],
UPA [auth YA],
UQ [auth RA],
UQA [auth YA],
UR [auth RA],
URA [auth YA],
US [auth RA],
USA [auth YA],
UT [auth RA],
UTA [auth YA],
UU [auth RA],
UUA [auth YA],
UV [auth RA],
UVA [auth YA],
UW [auth RA],
UWA [auth YA],
UX [auth RA],
UXA [auth YA],
UY [auth RA],
UYA [auth YA],
UZ [auth RA],
UZA [auth YA],
VAA [auth RE],
VAB [auth YP],
VBA [auth XA],
VCA [auth XA],
VD [auth QA],
VDA [auth XA],
VE [auth QA],
VEA [auth XM],
VF [auth QA],
VFA [auth YA],
VG [auth RA],
VGA [auth YA],
VH [auth RA],
VHA [auth YA],
VI [auth RA],
VIA [auth YA],
VJ [auth RA],
VJA [auth YA],
VK [auth RA],
VKA [auth YA],
VL [auth RA],
VLA [auth YA],
VM [auth RA],
VMA [auth YA],
VN [auth RA],
VNA [auth YA],
VO [auth RA],
VOA [auth YA],
VP [auth RA],
VPA [auth YA],
VQ [auth RA],
VQA [auth YA],
VR [auth RA],
VRA [auth YA],
VS [auth RA],
VSA [auth YA],
VT [auth RA],
VTA [auth YA],
VU [auth RA],
VUA [auth YA],
VV [auth RA],
VVA [auth YA],
VW [auth RA],
VWA [auth YA],
VX [auth RA],
VXA [auth YA],
VY [auth RA],
VYA [auth YA],
VZ [auth RA],
VZA [auth YA],
WAA [auth RN],
WAB [auth YP],
WBA [auth XA],
WCA [auth XA],
WD [auth QA],
WDA [auth XA],
WE [auth QA],
WF [auth QA],
WFA [auth YA],
WG [auth RA],
WGA [auth YA],
WH [auth RA],
WHA [auth YA],
WI [auth RA],
WIA [auth YA],
WJ [auth RA],
WJA [auth YA],
WK [auth RA],
WKA [auth YA],
WL [auth RA],
WLA [auth YA],
WM [auth RA],
WMA [auth YA],
WN [auth RA],
WNA [auth YA],
WO [auth RA],
WOA [auth YA],
WP [auth RA],
WPA [auth YA],
WQ [auth RA],
WQA [auth YA],
WR [auth RA],
WRA [auth YA],
WS [auth RA],
WSA [auth YA],
WT [auth RA],
WTA [auth YA],
WU [auth RA],
WUA [auth YA],
WV [auth RA],
WVA [auth YA],
WW [auth RA],
WWA [auth YA],
WX [auth RA],
WXA [auth YA],
WY [auth RA],
WYA [auth YA],
WZ [auth RA],
WZA [auth YA],
XAA [auth RO],
XAB [auth YP],
XBA [auth XA],
XCA [auth XA],
XD [auth QA],
XDA [auth XA],
XE [auth QA],
XEA [auth XQ],
XF [auth QA],
XFA [auth YA],
XG [auth RA],
XGA [auth YA],
XH [auth RA],
XHA [auth YA],
XI [auth RA],
XIA [auth YA],
XJ [auth RA],
XJA [auth YA],
XK [auth RA],
XKA [auth YA],
XL [auth RA],
XLA [auth YA],
XM [auth RA],
XMA [auth YA],
XN [auth RA],
XNA [auth YA],
XO [auth RA],
XOA [auth YA],
XP [auth RA],
XPA [auth YA],
XQ [auth RA],
XQA [auth YA],
XR [auth RA],
XRA [auth YA],
XS [auth RA],
XSA [auth YA],
XT [auth RA],
XTA [auth YA],
XU [auth RA],
XUA [auth YA],
XV [auth RA],
XVA [auth YA],
XW [auth RA],
XWA [auth YA],
XX [auth RA],
XXA [auth YA],
XY [auth RA],
XYA [auth YA],
XZ [auth RA],
XZA [auth YA],
YAA [auth RP],
YAB [auth YQ],
YBA [auth XA],
YCA [auth XA],
YD [auth QA],
YDA [auth XA],
YE [auth QA],
YEA [auth XS],
YF [auth QA],
YFA [auth YA],
YG [auth RA],
YGA [auth YA],
YH [auth RA],
YHA [auth YA],
YI [auth RA],
YIA [auth YA],
YJ [auth RA],
YJA [auth YA],
YK [auth RA],
YKA [auth YA],
YL [auth RA],
YLA [auth YA],
YM [auth RA],
YMA [auth YA],
YN [auth RA],
YNA [auth YA],
YO [auth RA],
YOA [auth YA],
YP [auth RA],
YPA [auth YA],
YQ [auth RA],
YQA [auth YA],
YR [auth RA],
YRA [auth YA],
YS [auth RA],
YSA [auth YA],
YT [auth RA],
YTA [auth YA],
YU [auth RA],
YUA [auth YA],
YV [auth RA],
YVA [auth YA],
YW [auth RA],
YWA [auth YA],
YX [auth RA],
YXA [auth YA],
YY [auth RA],
YYA [auth YA],
YZ [auth RA],
YZA [auth YA],
ZAA [auth RP],
ZAB [auth YQ],
ZBA [auth XA],
ZCA [auth XA],
ZD [auth QA],
ZDA [auth XA],
ZE [auth QA],
ZEA [auth XV],
ZF [auth QA],
ZFA [auth YA],
ZG [auth RA],
ZGA [auth YA],
ZH [auth RA],
ZHA [auth YA],
ZI [auth RA],
ZIA [auth YA],
ZJ [auth RA],
ZJA [auth YA],
ZK [auth RA],
ZKA [auth YA],
ZL [auth RA],
ZLA [auth YA],
ZM [auth RA],
ZMA [auth YA],
ZN [auth RA],
ZNA [auth YA],
ZO [auth RA],
ZOA [auth YA],
ZP [auth RA],
ZPA [auth YA],
ZQ [auth RA],
ZQA [auth YA],
ZR [auth RA],
ZRA [auth YA],
ZS [auth RA],
ZSA [auth YA],
ZT [auth RA],
ZTA [auth YA],
ZU [auth RA],
ZUA [auth YA],
ZV [auth RA],
ZVA [auth YA],
ZW [auth RA],
ZWA [auth YA],
ZX [auth RA],
ZXA [auth YA],
ZY [auth RA],
ZYA [auth YA],
ZZ [auth RA],
ZZA [auth YA]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.74 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.204 
  • R-Value Observed: 0.205 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 210.805α = 90
b = 448.832β = 90
c = 618.447γ = 90
Software Package:
Software NamePurpose
XDSdata reduction
XSCALEdata scaling
PHENIXrefinement
PHENIXphasing
PDB_EXTRACTdata extraction

Structure Validation

View Full Validation Report



View more in-depth experimental data
Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)United StatesR01GM093279
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)United StatesR01GM072528

Revision History  (Full details and data files)

  • Version 1.0: 2018-11-14
    Type: Initial release
  • Version 1.1: 2018-12-12
    Changes: Data collection, Database references
  • Version 1.2: 2019-02-20
    Changes: Author supporting evidence, Data collection
  • Version 1.3: 2019-07-03
    Changes: Data collection, Database references
  • Version 1.4: 2020-01-01
    Changes: Author supporting evidence
  • Version 1.5: 2023-10-04
    Changes: Data collection, Database references, Derived calculations, Refinement description