Structure of PDB 3kgq Chain A Binding Site BS01

Receptor Information

>3kgq Chain A (length=303) Species: 9913 (Bos taurus)

STNTFNYATYHTLDEIYDFMDLLVAEHPQLVSKLQIGRSYEGRPIYVLKF
STGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTEDYGQDPSFTAILDS
MDIFLEIVTNPDGFAFTHSQNRLWRKTRSVTSSSLCVGVDANRNWDAGFG
KAGASSSPCSETYHGKYANSEVEVKSIVDFVKDHGNFKAFLSIHSYSQLL
LYPYGYTTQSIPDKTELNQVAKSAVEALKSLYGTSYKYGSIITTIYQASG
GSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIME
HTL

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3kgq Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kgq Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H69 E72 H196
• Binding residue (residue number reindexed from 1): H67 E70 H194
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H69 E72 R127 H196 E270
• Catalytic site (residue number reindexed from 1): H67 E70 R125 H194 E268
• Enzyme Commision number: 3.4.17.1: carboxypeptidase A.

Gene Ontology

Molecular Function

• GO:0004181 metallocarboxypeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3kgq, PDBe:3kgq, PDBj:3kgq
• PDBsum: 3kgq
• PubMed: 21804935
• UniProt: P00730|CBPA1_BOVIN Carboxypeptidase A1 (Gene Name=CPA1)