3S6L

Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei solved by iodide ion SAD phasing

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free: 0.207 
  • R-Value Work: 0.175 
  • R-Value Observed: 0.176 

wwPDB Validation   3D Report Full Report


This is version 1.3 of the entry. See complete history. 


Literature

Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei

Edwards, T.E., Gardberg, A.S., Lafontaine, E.R., Seattle Structural Genomics Center for Infectious Disease (SSGCID)

To be published.

Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Hep_Hag family
A, B, C, D, E
178Burkholderia pseudomallei 1710bMutation(s): 0 
Gene Names: BURPS1710b_A2381
UniProt
Find proteins for Q3JFX2 (Burkholderia pseudomallei (strain 1710b))
Explore Q3JFX2 
Go to UniProtKB:  Q3JFX2
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ3JFX2
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
IOD
Query on IOD
Download Ideal Coordinates CCD File 
AA [auth B]
AC [auth E]
BA [auth B]
BC [auth E]
CA [auth B]
AA [auth B],
AC [auth E],
BA [auth B],
BC [auth E],
CA [auth B],
CC [auth E],
DA [auth B],
DC [auth E],
EA [auth B],
EC [auth E],
F [auth A],
FA [auth B],
FC [auth E],
G [auth A],
GA [auth B],
GB [auth D],
GC [auth E],
H [auth A],
HA [auth B],
HB [auth D],
HC [auth E],
I [auth A],
IB [auth D],
IC [auth E],
J [auth A],
JB [auth D],
JC [auth E],
K [auth A],
KB [auth D],
KC [auth E],
L [auth A],
LB [auth D],
LC [auth E],
M [auth A],
MB [auth D],
N [auth A],
NB [auth D],
O [auth A],
OB [auth D],
P [auth A],
PA [auth C],
QA [auth C],
RA [auth C],
SA [auth C],
TA [auth C],
UA [auth C],
VA [auth C],
WA [auth C],
XA [auth C],
Y [auth B],
YA [auth C],
Z [auth B],
ZB [auth E]
IODIDE ION
I
XMBWDFGMSWQBCA-UHFFFAOYSA-M
ZN
Query on ZN
Download Ideal Coordinates CCD File 
AB [auth C]
BB [auth C]
IA [auth B]
JA [auth B]
KA [auth B]
AB [auth C],
BB [auth C],
IA [auth B],
JA [auth B],
KA [auth B],
MC [auth E],
NC [auth E],
OC [auth E],
PB [auth D],
PC [auth E],
Q [auth A],
QB [auth D],
R [auth A],
RB [auth D],
S [auth A],
T [auth A],
ZA [auth C]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
CL
Query on CL
Download Ideal Coordinates CCD File 
CB [auth C]
DB [auth C]
EB [auth C]
FB [auth C]
LA [auth B]
CB [auth C],
DB [auth C],
EB [auth C],
FB [auth C],
LA [auth B],
MA [auth B],
NA [auth B],
OA [auth B],
QC [auth E],
RC [auth E],
SB [auth D],
SC [auth E],
TB [auth D],
TC [auth E],
U [auth A],
UB [auth D],
UC [auth E],
V [auth A],
VB [auth D],
VC [auth E],
W [auth A],
WB [auth D],
X [auth A],
XB [auth D],
YB [auth D]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free: 0.207 
  • R-Value Work: 0.175 
  • R-Value Observed: 0.176 
  • Space Group: P 21 3
  • Diffraction Data: https://doi.org/10.18430/M33S6L
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 144α = 90
b = 144β = 90
c = 144γ = 90
Software Package:
Software NamePurpose
XSCALEdata scaling
PHASERphasing
REFMACrefinement
PDB_EXTRACTdata extraction
StructureStudiodata collection
XDSdata reduction

Structure Validation

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View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2011-06-22
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2017-09-20
    Changes: Data collection
  • Version 1.3: 2024-02-28
    Changes: Data collection, Database references, Derived calculations, Refinement description