3AV7

Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PMP, KYN as substrates and KYA as products

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.84 Å
  • R-Value Free: 0.238 
  • R-Value Work: 0.176 
  • R-Value Observed: 0.179 

Starting Model: experimental
View more details

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history. 


Literature

Structural insight into kynurenic acid excretion mechanisms of kynurenine aminotransferase in the hyperthermophilic archaeon Pyrococcus horikoshii

Okada, K., Angkawidjaja, C., Koga, Y., Takano, K., Kanaya, Y.

To be published.

Macromolecules
Find similar proteins by: 
(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Putative uncharacterized protein PH0207A,
B [auth C]		448Pyrococcus horikoshii OT3Mutation(s): 0 
Gene Names: PH0207
EC: 2.6.1.7
UniProt
Find proteins for O57946 (Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3))
Explore O57946 
Go to UniProtKB:  O57946
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupO57946
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PMP
Query on PMP
Download Ideal Coordinates CCD File 
C [auth A],
F [auth C]		4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
C8 H13 N2 O5 P
ZMJGSOSNSPKHNH-UHFFFAOYSA-N
KYN
Query on KYN
Download Ideal Coordinates CCD File 
D [auth A],
G [auth C]		(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
C10 H12 N2 O3
YGPSJZOEDVAXAB-QMMMGPOBSA-N
KYA
Query on KYA
Download Ideal Coordinates CCD File 
E [auth A],
H [auth C]		4-hydroxyquinoline-2-carboxylic acid
C10 H7 N O3
HCZHHEIFKROPDY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.84 Å
  • R-Value Free: 0.238 
  • R-Value Work: 0.176 
  • R-Value Observed: 0.179 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 55.619α = 90
b = 136.529β = 100.71
c = 55.612γ = 90
Software Package:
Software NamePurpose
BL38B1data collection
MOLREPphasing
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2012-03-07
    Type: Initial release
  • Version 1.1: 2023-11-01
    Changes: Data collection, Database references, Derived calculations, Refinement description