3RXY

Crystal structure of NIF3 superfamily protein from Sphaerobacter thermophilus


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.232 
  • R-Value Work: 0.209 
  • R-Value Observed: 0.209 

wwPDB Validation   3D Report Full Report


This is version 1.1 of the entry. See complete history


Literature

Crystal structure of NIF3 superfamily protein from Sphaerobacter thermophilus

Michalska, K.Tesar, C.Clancy, S.Otwinowski, Z.Joachimiak, A.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
NIF3 protein
A, B, C, D, E
A, B, C, D, E, F
278Sphaerobacter thermophilus DSM 20745Mutation(s): 0 
Gene Names: Sthe_0840
UniProt
Find proteins for D1C210 (Sphaerobacter thermophilus (strain DSM 20745 / S 6022))
Explore D1C210 
Go to UniProtKB:  D1C210
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupD1C210
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
ACT
Query on ACT

Download Ideal Coordinates CCD File 
AA [auth F]ACETATE ION
C2 H3 O2
QTBSBXVTEAMEQO-UHFFFAOYSA-M
FMT
Query on FMT

Download Ideal Coordinates CCD File 
BA [auth F]
G [auth A]
I [auth A]
J [auth A]
K [auth B]
BA [auth F],
G [auth A],
I [auth A],
J [auth A],
K [auth B],
M [auth B],
N [auth B],
P [auth C],
Q [auth C],
S [auth D],
U [auth D],
V [auth E],
X [auth E],
Y [auth F]
FORMIC ACID
C H2 O2
BDAGIHXWWSANSR-UHFFFAOYSA-N
CL
Query on CL

Download Ideal Coordinates CCD File 
H [auth A]
L [auth B]
O [auth B]
R [auth C]
T [auth D]
H [auth A],
L [auth B],
O [auth B],
R [auth C],
T [auth D],
W [auth E],
Z [auth F]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
MSE
Query on MSE
A, B, C, D, E
A, B, C, D, E, F
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 187.77α = 90
b = 96.483β = 115.28
c = 128.47γ = 90
Software Package:
Software NamePurpose
SBC-Collectdata collection
MOLREPphasing
BUSTERrefinement
HKL-3000data reduction
HKL-3000data scaling

Structure Validation

View Full Validation Report



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