Structure of PDB 4co9 Chain A Binding Site BS03

Receptor Information

>4co9 Chain A (length=207) Species: 198094 (Bacillus anthracis str. Ames)

TSKWIDISQPLNNDIATWPGDTPFSYEVLWSKEESGSVNVGKLTMSIHTG
THIDAPFHFDNDGKKVLDLDIQVYVGPTRIIDVSNLESIGKKELEKFHLE
GVERLLLRTSSHGKANEFPDIIPHLRADIAPFLSEKGIRLIGVDVPSVDP
LDDKELAAHHQLFKHSIHILENVVLDHVADGDYELIALPLALSDADGSPV
RAVIRPI

Ligand information

• Ligand ID: GXT
• InChI: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
• InChIKey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(=O)C=O
  ACDLabs 12.01
  CACTVS 3.385: O=CC=O
• Formula: C2 H2 O2
• Name: ethanedial
• ChEMBL: CHEMBL1606435
• ZINC: ZINC000008437750
• PDB chain: 4co9 Chain A Residue 1212

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4co9 Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): G183 D184
• Binding residue (residue number reindexed from 1): G181 D182
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.9: arylformamidase.

Gene Ontology

Molecular Function

• GO:0004061 arylformamidase activity
• GO:0004328 formamidase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006569 tryptophan catabolic process
• GO:0019441 tryptophan catabolic process to kynurenine
• GO:0043420 anthranilate metabolic process

External links

• PDB: RCSB:4co9, PDBe:4co9, PDBj:4co9
• PDBsum: 4co9
• PubMed: 24942958
• UniProt: Q81PP9|KYNB_BACAN Kynurenine formamidase (Gene Name=kynB)