Structure of PDB 1pca Chain A Binding Site BS02

Receptor Information
>1pca Chain A (length=402) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEDFVGHQVLRISVDDEAQVQKVKELEDLEHLQLDFWRGPARPGFPIDVR
VPFPSIQAVKVFLEAHGIRYTIMIEDVQLLLDEEQEQMFASQGRARTTST
FNYATYHTLEEIYDFMDILVAEHPALVSKLQIGRSYEGRPIYVLKFSTGG
SNRPAIWIDSGIHSREWITQASGVWFAKKITENYGQNSSFTAILDSMDIF
LEIVTNPNGFAFTHSDNRLWRKTRSKASGSLCVGSDSNRNWDAGFGGAGA
SSSPCAETYHGKYPNSEVEVKSITDFVKNNGNIKAFISIHSYSQLLLYPY
GYKTQSPADKSELNQIAKSAVAALKSLYGTSYKYGSIITVIYQASGGVID
WTYNQGIKYSFSFELRDTGRRGFLLPASQIIPTAQETWLALLTIMEHTLN
NS
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain1pca Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pca Three-dimensional structure of porcine pancreatic procarboxypeptidase A. A comparison of the A and B zymogens and their determinants for inhibition and activation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N144 R145 Y248 E270
Binding residue
(residue number reindexed from 1)		N238 R239 Y342 E364
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1pca, PDBe:1pca, PDBj:1pca
PDBsum1pca
PubMed1548696
UniProtP09954|CBPA1_PIG Carboxypeptidase A1 (Gene Name=CPA1)

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