Structure of PDB 3av7 Chain C Binding Site BS02

Receptor Information
>3av7 Chain C (length=404) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLGDVERFFSKKALEMRASEVRELLKLVETSDIISLAGGLPNPKTFPKE
IIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGISQDNDIM
ITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLD
DEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLE
LASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPG
FRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPE
IRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLE
RAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKE
ELKA
Ligand information
Ligand IDKYN
InChIInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)CC(C(=O)O)N)N
CACTVS 3.370N[C@@H](CC(=O)c1ccccc1N)C(O)=O
ACDLabs 12.01O=C(c1ccccc1N)CC(C(=O)O)N
CACTVS 3.370N[CH](CC(=O)c1ccccc1N)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N
FormulaC10 H12 N2 O3
Name(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;
L-KYNURENINE
ChEMBLCHEMBL498416
DrugBankDB02070
ZINCZINC000000895186
PDB chain3av7 Chain C Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3av7 Structural insight into kynurenic acid excretion mechanisms of kynurenine aminotransferase in the hyperthermophilic archaeon Pyrococcus horikoshii
Resolution1.84 Å
Binding residue
(original residue number in PDB)		G64 Y154 N208 F389 R400
Binding residue
(residue number reindexed from 1)		G40 Y130 N184 F365 R376
Annotation score5
Enzymatic activity
Enzyme Commision number 2.6.1.7: kynurenine--oxoglutarate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:1901605 alpha-amino acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3av7, PDBe:3av7, PDBj:3av7
PDBsum3av7
PubMed
UniProtO57946

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