Structure of PDB 3wx9 Chain A Binding Site BS04

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: 3EE
• InChI: InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
• InChIKey: CAOVWYZQMPNAFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C(c1ccccc1N)CC(=O)C(=O)O
  CACTVS 3.385: Nc1ccccc1C(=O)CC(=O)C(O)=O
  OpenEye OEToolkits 1.7.6: c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N
• Formula: C10 H9 N O4
• Name: 4-(2-aminophenyl)-2,4-dioxobutanoic acid
• ZINC: ZINC000030724120
• PDB chain: 3wx9 Chain A Residue 504

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): R47 G64 L65
• Binding residue (residue number reindexed from 1): R23 G40 L41
• 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