4H31

Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoyl phosphate and L-norvaline


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.167 
  • R-Value Work: 0.135 
  • R-Value Observed: 0.137 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Structural studies of ornithine carbamoyltransferase from various pathogens

Shabalin, I.G.Winsor, J.Grimshaw, S.Osinski, T.Chordia, M.D.Anderson, W.F.Minor, W.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Ornithine carbamoyltransferase
A, B, C
358Vibrio vulnificus CMCP6Mutation(s): 0 
Gene Names: argFVV1_1466
EC: 2.1.3.3
UniProt
Find proteins for Q8DCF5 (Vibrio vulnificus (strain CMCP6))
Explore Q8DCF5 
Go to UniProtKB:  Q8DCF5
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8DCF5
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 5 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PE5
Query on PE5

Download Ideal Coordinates CCD File 
EA [auth C],
F [auth A],
Z [auth B]
3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
C18 H38 O9
CUDPPTPIUWYGFI-UHFFFAOYSA-N
CP
Query on CP

Download Ideal Coordinates CCD File 
DA [auth C],
E [auth A],
R [auth B]
PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
C H4 N O5 P
FFQKYPRQEYGKAF-UHFFFAOYSA-N
NVA
Query on NVA

Download Ideal Coordinates CCD File 
BA [auth C],
D [auth A],
Q [auth B]
NORVALINE
C5 H11 N O2
SNDPXSYFESPGGJ-BYPYZUCNSA-N
PEG
Query on PEG

Download Ideal Coordinates CCD File 
AA [auth B]
FA [auth C]
G [auth A]
GA [auth C]
H [auth A]
AA [auth B],
FA [auth C],
G [auth A],
GA [auth C],
H [auth A],
HA [auth C],
I [auth A],
JA [auth C],
K [auth A],
L [auth A],
M [auth A],
O [auth A],
P [auth A],
S [auth B],
U [auth B],
W [auth B],
X [auth B],
Y [auth B]
DI(HYDROXYETHYL)ETHER
C4 H10 O3
MTHSVFCYNBDYFN-UHFFFAOYSA-N
CL
Query on CL

Download Ideal Coordinates CCD File 
CA [auth C]
IA [auth C]
J [auth A]
N [auth A]
T [auth B]
CA [auth C],
IA [auth C],
J [auth A],
N [auth A],
T [auth B],
V [auth B]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 74.262α = 90
b = 80.911β = 90
c = 152.733γ = 90
Software Package:
Software NamePurpose
HKL-3000data collection
HKL-3000phasing
MOLREPphasing
REFMACrefinement
Cootmodel building
HKL-3000data reduction
HKL-3000data scaling

Structure Validation

View Full Validation Report



Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2012-09-26
    Type: Initial release
  • Version 1.1: 2022-04-13
    Changes: Database references, Derived calculations, Structure summary
  • Version 1.2: 2023-09-20
    Changes: Data collection, Refinement description