4V90

Thermus thermophilus Ribosome

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.95 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.210 
  • R-Value Observed: 0.210 

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


Literature

Structure of EF-G-ribosome complex in a pretranslocation state.

Chen, Y., Feng, S., Kumar, V., Ero, R., Gao, Y.G.

(2013) Nat Struct Mol Biol 20: 1077-1084

  • DOI: https://doi.org/10.1038/nsmb.2645
  • Primary Citation of Related Structures:  
    4V90

  • PubMed Abstract: 

    In protein synthesis, elongation factor G (EF-G) facilitates movement of tRNA-mRNA by one codon, which is coupled to the ratchet-like rotation of the ribosome complex and is triggered by EF-G-mediated GTP hydrolysis. Here we report the structure of a pretranslocational ribosome bound to Thermus thermophilus EF-G trapped with a GTP analog. The positioning of the catalytic His87 into the active site coupled to hydrophobic-gate opening involves the 23S rRNA sarcin-ricin loop and domain III of EF-G and provides a structural basis for the GTPase activation of EF-G. Interactions of the hybrid peptidyl-site-exit-site tRNA with ribosomal elements, including the entire L1 stalk and proteins S13 and S19, shed light on how formation and stabilization of the hybrid tRNA is coupled to head swiveling and body rotation of the 30S as well as to closure of the L1 stalk.

    • Organizational Affiliation: 

    School of Biological Sciences, Nanyang Technological University, Singapore.


Macromolecules

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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S2B [auth AB]256Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S3C [auth AC]239Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S4D [auth AD]209Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S5E [auth AE]162Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S6F [auth AF]101Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S7G [auth AG]156Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S8H [auth AH]138Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S9I [auth AI]128Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S10J [auth AJ]105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S11K [auth AK]129Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S12L [auth AL]132Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S13M [auth AM]126Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S14 TYPE ZN [auth AN]61Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S15O [auth AO]89Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S16P [auth AP]88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S17Q [auth AQ]105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S18R [auth AR]88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S19S [auth AS]93Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN S20T [auth AT]106Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
30S RIBOSOMAL PROTEIN THXU [auth AU]27Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 24
MoleculeChains Sequence LengthOrganismDetailsImage
ELONGATION FACTOR GX [auth AY]691Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 25
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L27Y [auth B0]84Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 26
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L28Z [auth B1]97Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 27
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L29AA [auth B2]71Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L30BA [auth B3]60Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 29
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L31CA [auth B4]71Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L32DA [auth B5]59Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L33EA [auth B6]53Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L34FA [auth B7]48Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L35GA [auth B8]64Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L36HA [auth B9]37Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 37
MoleculeChains Sequence LengthOrganismDetailsImage
RIBOSOMAL PROTEIN L1KA [auth BC]228Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 38
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L2LA [auth BD]275Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L3MA [auth BE]206Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L4NA [auth BF]210Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L5OA [auth BG]181Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 42
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L6PA [auth BH]180Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
CHAIN JQA [auth BJ]130Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
CHAIN KRA [auth BK]140Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 45
MoleculeChains Sequence LengthOrganismDetailsImage
CHAIN LSA [auth BL]71Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 46
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L13TA [auth BN]140Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L14UA [auth BO]122Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L15VA [auth BP]149Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L16WA [auth BQ]141Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L17XA [auth BR]117Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L18YA [auth BS]111Thermus thermophilus HB8Mutation(s): 0 
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Find proteins for Q5SHQ4 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupQ5SHQ4
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L19ZA [auth BT]146Thermus thermophilus HB8Mutation(s): 0 
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Find proteins for P60490 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L20AB [auth BU]117Thermus thermophilus HB8Mutation(s): 0 
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Find proteins for P60491 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupP60491
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L21BB [auth BV]101Thermus thermophilus HB8Mutation(s): 0 
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UniProt GroupP60492
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L22CB [auth BW]113Thermus thermophilus HB8Mutation(s): 0 
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Find proteins for Q5SHP3 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupQ5SHP3
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Entity ID: 56
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L23DB [auth BX]95Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 57
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L24EB [auth BY]109Thermus thermophilus HB8Mutation(s): 0 
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Find proteins for Q5SHP9 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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Entity ID: 58
MoleculeChains Sequence LengthOrganismDetailsImage
50S RIBOSOMAL PROTEIN L25FB [auth BZ]205Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for Q5SHZ1 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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Entity ID: 1
MoleculeChains LengthOrganismImage
16S RIBOSOMAL RNAA [auth AA]1,519Thermus thermophilus HB8
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Entity ID: 22
MoleculeChains LengthOrganismImage
RNA (77-MER)V [auth AV]76Thermus thermophilus HB8
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Entity ID: 23
MoleculeChains LengthOrganismImage
5'-R(*UP*AP*AP*AP*AP*AP*UP*GP*UP)-3'W [auth AX]9synthetic construct
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Entity ID: 35
MoleculeChains LengthOrganismImage
23S RIBOSOMAL RNAIA [auth BA]2,915Thermus thermophilus HB8
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Entity ID: 36
MoleculeChains LengthOrganismImage
5S RIBOSOMAL RNAJA [auth BB]122Thermus thermophilus HB8
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Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
GCP
Query on GCP
Download Ideal Coordinates CCD File 
YI [auth AY]PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
C11 H18 N5 O13 P3
PHBDHXOBFUBCJD-KQYNXXCUSA-N
ZN
Query on ZN
Download Ideal Coordinates CCD File 
CJ [auth B9],
WI [auth AD],
XI [auth AN]		ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
Query on MG
Download Ideal Coordinates CCD File 
AC [auth AA]
AD [auth AA]
AE [auth AA]
AF [auth AA]
AG [auth AA]
AC [auth AA],
AD [auth AA],
AE [auth AA],
AF [auth AA],
AG [auth AA],
AH [auth AA],
AI [auth AA],
AJ [auth B0],
AK [auth BA],
AL [auth BA],
AM [auth BA],
AN [auth BA],
AO [auth BA],
AP [auth BA],
AQ [auth BA],
AR [auth BA],
AS [auth BA],
AT [auth BA],
AU [auth BA],
AV [auth BA],
BC [auth AA],
BD [auth AA],
BE [auth AA],
BF [auth AA],
BG [auth AA],
BH [auth AA],
BI [auth AA],
BJ [auth B5],
BK [auth BA],
BL [auth BA],
BM [auth BA],
BN [auth BA],
BO [auth BA],
BP [auth BA],
BQ [auth BA],
BR [auth BA],
BS [auth BA],
BT [auth BA],
BU [auth BA],
BV [auth BA],
CC [auth AA],
CD [auth AA],
CE [auth AA],
CF [auth AA],
CG [auth AA],
CH [auth AA],
CI [auth AA],
CK [auth BA],
CL [auth BA],
CM [auth BA],
CN [auth BA],
CO [auth BA],
CP [auth BA],
CQ [auth BA],
CR [auth BA],
CS [auth BA],
CT [auth BA],
CU [auth BA],
CV [auth BA],
DC [auth AA],
DD [auth AA],
DE [auth AA],
DF [auth AA],
DG [auth AA],
DH [auth AA],
DI [auth AA],
DJ [auth BA],
DK [auth BA],
DL [auth BA],
DM [auth BA],
DN [auth BA],
DO [auth BA],
DP [auth BA],
DQ [auth BA],
DR [auth BA],
DS [auth BA],
DT [auth BA],
DU [auth BA],
DV [auth BA],
EC [auth AA],
ED [auth AA],
EE [auth AA],
EF [auth AA],
EG [auth AA],
EH [auth AA],
EI [auth AA],
EJ [auth BA],
EK [auth BA],
EL [auth BA],
EM [auth BA],
EN [auth BA],
EO [auth BA],
EP [auth BA],
EQ [auth BA],
ER [auth BA],
ES [auth BA],
ET [auth BA],
EU [auth BA],
EV [auth BA],
FC [auth AA],
FD [auth AA],
FE [auth AA],
FF [auth AA],
FG [auth AA],
FH [auth AA],
FI [auth AA],
FJ [auth BA],
FK [auth BA],
FL [auth BA],
FM [auth BA],
FN [auth BA],
FO [auth BA],
FP [auth BA],
FQ [auth BA],
FR [auth BA],
FS [auth BA],
FT [auth BA],
FU [auth BA],
FV [auth BA],
GB [auth AA],
GC [auth AA],
GD [auth AA],
GE [auth AA],
GF [auth AA],
GG [auth AA],
GH [auth AA],
GI [auth AA],
GJ [auth BA],
GK [auth BA],
GL [auth BA],
GM [auth BA],
GN [auth BA],
GO [auth BA],
GP [auth BA],
GQ [auth BA],
GR [auth BA],
GS [auth BA],
GT [auth BA],
GU [auth BA],
GV [auth BA],
HB [auth AA],
HC [auth AA],
HD [auth AA],
HE [auth AA],
HF [auth AA],
HG [auth AA],
HH [auth AA],
HI [auth AA],
HJ [auth BA],
HK [auth BA],
HL [auth BA],
HM [auth BA],
HN [auth BA],
HO [auth BA],
HP [auth BA],
HQ [auth BA],
HR [auth BA],
HS [auth BA],
HT [auth BA],
HU [auth BA],
HV [auth BA],
IB [auth AA],
IC [auth AA],
ID [auth AA],
IE [auth AA],
IF [auth AA],
IG [auth AA],
IH [auth AA],
II [auth AA],
IJ [auth BA],
IK [auth BA],
IL [auth BA],
IM [auth BA],
IN [auth BA],
IO [auth BA],
IP [auth BA],
IQ [auth BA],
IR [auth BA],
IS [auth BA],
IT [auth BA],
IU [auth BA],
IV [auth BA],
JB [auth AA],
JC [auth AA],
JD [auth AA],
JE [auth AA],
JF [auth AA],
JG [auth AA],
JH [auth AA],
JI [auth AA],
JJ [auth BA],
JK [auth BA],
JL [auth BA],
JM [auth BA],
JN [auth BA],
JO [auth BA],
JP [auth BA],
JQ [auth BA],
JR [auth BA],
JS [auth BA],
JT [auth BA],
JU [auth BA],
JV [auth BA],
KB [auth AA],
KC [auth AA],
KD [auth AA],
KE [auth AA],
KF [auth AA],
KG [auth AA],
KH [auth AA],
KI [auth AA],
KJ [auth BA],
KK [auth BA],
KL [auth BA],
KM [auth BA],
KN [auth BA],
KO [auth BA],
KP [auth BA],
KQ [auth BA],
KR [auth BA],
KS [auth BA],
KT [auth BA],
KU [auth BA],
KV [auth BA],
LB [auth AA],
LC [auth AA],
LD [auth AA],
LE [auth AA],
LF [auth AA],
LG [auth AA],
LH [auth AA],
LI [auth AA],
LJ [auth BA],
LK [auth BA],
LL [auth BA],
LM [auth BA],
LN [auth BA],
LO [auth BA],
LP [auth BA],
LQ [auth BA],
LR [auth BA],
LS [auth BA],
LT [auth BA],
LU [auth BA],
LV [auth BC],
MB [auth AA],
MC [auth AA],
MD [auth AA],
ME [auth AA],
MF [auth AA],
MG [auth AA],
MH [auth AA],
MI [auth AA],
MJ [auth BA],
MK [auth BA],
ML [auth BA],
MM [auth BA],
MN [auth BA],
MO [auth BA],
MP [auth BA],
MQ [auth BA],
MR [auth BA],
MS [auth BA],
MT [auth BA],
MU [auth BA],
MV [auth BU],
NB [auth AA],
NC [auth AA],
ND [auth AA],
NE [auth AA],
NF [auth AA],
NG [auth AA],
NH [auth AA],
NI [auth AA],
NJ [auth BA],
NK [auth BA],
NL [auth BA],
NM [auth BA],
NN [auth BA],
NO [auth BA],
NP [auth BA],
NQ [auth BA],
NR [auth BA],
NS [auth BA],
NT [auth BA],
NU [auth BA],
OB [auth AA],
OC [auth AA],
OD [auth AA],
OE [auth AA],
OF [auth AA],
OG [auth AA],
OH [auth AA],
OI [auth AA],
OJ [auth BA],
OK [auth BA],
OL [auth BA],
OM [auth BA],
ON [auth BA],
OO [auth BA],
OP [auth BA],
OQ [auth BA],
OR [auth BA],
OS [auth BA],
OT [auth BA],
OU [auth BA],
PB [auth AA],
PC [auth AA],
PD [auth AA],
PE [auth AA],
PF [auth AA],
PG [auth AA],
PH [auth AA],
PI [auth AA],
PJ [auth BA],
PK [auth BA],
PL [auth BA],
PM [auth BA],
PN [auth BA],
PO [auth BA],
PP [auth BA],
PQ [auth BA],
PR [auth BA],
PS [auth BA],
PT [auth BA],
PU [auth BA],
QB [auth AA],
QC [auth AA],
QD [auth AA],
QE [auth AA],
QF [auth AA],
QG [auth AA],
QH [auth AA],
QI [auth AA],
QJ [auth BA],
QK [auth BA],
QL [auth BA],
QM [auth BA],
QN [auth BA],
QO [auth BA],
QP [auth BA],
QQ [auth BA],
QR [auth BA],
QS [auth BA],
QT [auth BA],
QU [auth BA],
RB [auth AA],
RC [auth AA],
RD [auth AA],
RE [auth AA],
RF [auth AA],
RG [auth AA],
RH [auth AA],
RI [auth AA],
RJ [auth BA],
RK [auth BA],
RL [auth BA],
RM [auth BA],
RN [auth BA],
RO [auth BA],
RP [auth BA],
RQ [auth BA],
RR [auth BA],
RS [auth BA],
RT [auth BA],
RU [auth BA],
SB [auth AA],
SC [auth AA],
SD [auth AA],
SE [auth AA],
SF [auth AA],
SG [auth AA],
SH [auth AA],
SI [auth AA],
SJ [auth BA],
SK [auth BA],
SL [auth BA],
SM [auth BA],
SN [auth BA],
SO [auth BA],
SP [auth BA],
SQ [auth BA],
SR [auth BA],
SS [auth BA],
ST [auth BA],
SU [auth BA],
TB [auth AA],
TC [auth AA],
TD [auth AA],
TE [auth AA],
TF [auth AA],
TG [auth AA],
TH [auth AA],
TI [auth AA],
TJ [auth BA],
TK [auth BA],
TL [auth BA],
TM [auth BA],
TN [auth BA],
TO [auth BA],
TP [auth BA],
TQ [auth BA],
TR [auth BA],
TS [auth BA],
TT [auth BA],
TU [auth BA],
UB [auth AA],
UC [auth AA],
UD [auth AA],
UE [auth AA],
UF [auth AA],
UG [auth AA],
UH [auth AA],
UI [auth AA],
UJ [auth BA],
UK [auth BA],
UL [auth BA],
UM [auth BA],
UN [auth BA],
UO [auth BA],
UP [auth BA],
UQ [auth BA],
UR [auth BA],
US [auth BA],
UT [auth BA],
UU [auth BA],
VB [auth AA],
VC [auth AA],
VD [auth AA],
VE [auth AA],
VF [auth AA],
VG [auth AA],
VH [auth AA],
VI [auth AA],
VJ [auth BA],
VK [auth BA],
VL [auth BA],
VM [auth BA],
VN [auth BA],
VO [auth BA],
VP [auth BA],
VQ [auth BA],
VR [auth BA],
VS [auth BA],
VT [auth BA],
VU [auth BA],
WB [auth AA],
WC [auth AA],
WD [auth AA],
WE [auth AA],
WF [auth AA],
WG [auth AA],
WH [auth AA],
WJ [auth BA],
WK [auth BA],
WL [auth BA],
WM [auth BA],
WN [auth BA],
WO [auth BA],
WP [auth BA],
WQ [auth BA],
WR [auth BA],
WS [auth BA],
WT [auth BA],
WU [auth BA],
XB [auth AA],
XC [auth AA],
XD [auth AA],
XE [auth AA],
XF [auth AA],
XG [auth AA],
XH [auth AA],
XJ [auth BA],
XK [auth BA],
XL [auth BA],
XM [auth BA],
XN [auth BA],
XO [auth BA],
XP [auth BA],
XQ [auth BA],
XR [auth BA],
XS [auth BA],
XT [auth BA],
XU [auth BA],
YB [auth AA],
YC [auth AA],
YD [auth AA],
YE [auth AA],
YF [auth AA],
YG [auth AA],
YH [auth AA],
YJ [auth BA],
YK [auth BA],
YL [auth BA],
YM [auth BA],
YN [auth BA],
YO [auth BA],
YP [auth BA],
YQ [auth BA],
YR [auth BA],
YS [auth BA],
YT [auth BA],
YU [auth BA],
ZB [auth AA],
ZC [auth AA],
ZD [auth AA],
ZE [auth AA],
ZF [auth AA],
ZG [auth AA],
ZH [auth AA],
ZI [auth AY],
ZJ [auth BA],
ZK [auth BA],
ZL [auth BA],
ZM [auth BA],
ZN [auth BA],
ZO [auth BA],
ZP [auth BA],
ZQ [auth BA],
ZR [auth BA],
ZS [auth BA],
ZT [auth BA],
ZU [auth BA]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.95 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.210 
  • R-Value Observed: 0.210 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 202.896α = 90
b = 242.632β = 99.6
c = 309.323γ = 90
Software Package:
Software NamePurpose
PHASERmodel building
CNSrefinement
XDSdata reduction
XDSdata scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 


View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2014-07-09
    Type: Initial release
  • Version 1.1: 2014-12-10
    Changes: Other
  • Version 1.2: 2018-03-21
    Changes: Database references, Source and taxonomy, Structure summary
  • Version 1.3: 2018-06-20
    Changes: Advisory, Data collection, Derived calculations, Structure summary
  • Version 1.4: 2018-11-21
    Changes: Advisory, Data collection, Derived calculations
  • Version 1.5: 2024-01-10
    Changes: Data collection, Database references, Derived calculations, Refinement description