Structure of PDB 1pca Chain A Binding Site BS01

Receptor Information

>1pca Chain A (length=402) Species: 9823 (Sus scrofa)

KEDFVGHQVLRISVDDEAQVQKVKELEDLEHLQLDFWRGPARPGFPIDVR
VPFPSIQAVKVFLEAHGIRYTIMIEDVQLLLDEEQEQMFASQGRARTTST
FNYATYHTLEEIYDFMDILVAEHPALVSKLQIGRSYEGRPIYVLKFSTGG
SNRPAIWIDSGIHSREWITQASGVWFAKKITENYGQNSSFTAILDSMDIF
LEIVTNPNGFAFTHSDNRLWRKTRSKASGSLCVGSDSNRNWDAGFGGAGA
SSSPCAETYHGKYPNSEVEVKSITDFVKNNGNIKAFISIHSYSQLLLYPY
GYKTQSPADKSELNQIAKSAVAALKSLYGTSYKYGSIITVIYQASGGVID
WTYNQGIKYSFSFELRDTGRRGFLLPASQIIPTAQETWLALLTIMEHTLN
NS

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: 1pca Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pca Three-dimensional structure of porcine pancreatic procarboxypeptidase A. A comparison of the A and B zymogens and their determinants for inhibition and activation.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H69 E72 H196
• Binding residue (residue number reindexed from 1): H163 E166 H290
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H69 E72 R127 H196 E270
• Catalytic site (residue number reindexed from 1): H163 E166 R221 H290 E364
• 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:1pca, PDBe:1pca, PDBj:1pca
• PDBsum: 1pca
• PubMed: 1548696
• UniProt: P09954|CBPA1_PIG Carboxypeptidase A1 (Gene Name=CPA1)