Structure of PDB 3wx9 Chain A Binding Site BS03

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: G9A
• InChI: InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
• InChIKey: XVOUMQNXTGKGMA-OWOJBTEDSA-N
• SMILES:
  ACDLabs 12.01: O=C(O)\C=C\CC(=O)O
  CACTVS 3.385: OC(=O)C/C=C/C(O)=O
  OpenEye OEToolkits 1.7.6: C(C=CC(=O)O)C(=O)O
  CACTVS 3.385: OC(=O)CC=CC(O)=O
  OpenEye OEToolkits 1.7.6: C(/C=C/C(=O)O)C(=O)O
• Formula: C5 H6 O4
• Name: (2E)-pent-2-enedioic acid;
  Glutaconic acid
• ChEMBL: CHEMBL557347
• ZINC: ZINC000000160274
• PDB chain: 3wx9 Chain A Residue 503

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): G64 Y154 N208 R400
• Binding residue (residue number reindexed from 1): G40 Y130 N184 R376
• Annotation score: 1

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