Structure of PDB 3wx9 Chain A Binding Site BS02

Receptor Information

>3wx9 Chain A (length=404) Species: 70601 (Pyrococcus horikoshii OT3)

SMLGDVERFFSKKALEMRASEVRELLKLVETSDIISLAGGLPNPKTFPKE
IIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGISQDNDIM
ITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLD
DEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLE
LASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPG
FRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPE
IRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLE
RAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKE
ELKA

Ligand information

• Ligand ID: AKG
• InChI: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
• InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(=O)CCC(=O)O
  OpenEye OEToolkits 1.7.6: C(CC(=O)O)C(=O)C(=O)O
  CACTVS 3.385: OC(=O)CCC(=O)C(O)=O
• Formula: C5 H6 O5
• Name: 2-OXOGLUTARIC ACID
• ChEMBL: CHEMBL1686
• DrugBank: DB08845
• ZINC: ZINC000001532519
• PDB chain: 3wx9 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wx9 Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PMP, GLA, 4AD, 2OG, GLU and KYA
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): D237 P238 Y239 G240 E241 G265 T266 I270
• Binding residue (residue number reindexed from 1): D213 P214 Y215 G216 E217 G241 T242 I246
• Annotation score: 4

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

External links

• PDB: RCSB:3wx9, PDBe:3wx9, PDBj:3wx9
• PDBsum: 3wx9
• UniProt: O57946