Structure of PDB 6cpa Chain A Binding Site BS01

Receptor Information

>6cpa Chain A (length=307) Species: 9913 (Bos taurus)

ARSTNTFNYATYHTLDEIYDFMDLLVAQHPELVSKLQIGRSYEGRPIYVL
KFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTENYGQNPSFTAIL
DSMDIFLEIVTNPNGFAFTHSENRLWRKTRSVTSSSLCVGVDANRNWDAG
FGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKNHGNFKAFLSIHSYSQ
LLLYPYGYTTQSIPDKTELNQVAKSAVAALKSLYGTSYKYGSIITTIYQA
SGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTI
MEHTVNN

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: 6cpa Chain A Residue 308

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cpa Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H69 E72 H196
• Binding residue (residue number reindexed from 1): H69 E72 H196
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H69 E72 R127 H196 E270
• Catalytic site (residue number reindexed from 1): H69 E72 R127 H196 E270
• 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:6cpa, PDBe:6cpa, PDBj:6cpa
• PDBsum: 6cpa
• PubMed: 2386784
• UniProt: P00730|CBPA1_BOVIN Carboxypeptidase A1 (Gene Name=CPA1)