Structure of PDB 2boa Chain B Binding Site BS01

Receptor Information
>2boa Chain B (length=404) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REKFFGDQVLRINVRNGDEISKLSQLVNSNNLKLNFWKSPSSFNRPVDVL
VPSVSLQAFKSFLRSQGLEYAVTIEDLQALLDNEDDEMQHNEGQERSSNN
FNYGAYHSLEAIYHEMDNIAADFPDLARRVKIGHSFENRPMYVLKFSTGK
GVRRPAVWLNAGIHSREWISQATAIWTARKIVSDYQRDPAITSILEKMDI
FLLPVANPDGYVYTQTQNRLWRKTRSRNPGSSCIGADPNRNWNASFAGKG
ASDNPCSEVYHGPHANSEVEVKSVVDFIQKHGNFKGFIDLHSYSQLLMYP
YGYSVKKAPDAEELDKVARLAAKALASVSGTEYQVGPTCTTVYPASGSSI
DWAYDNGIKFAFTFELRDTGTYGFLLPANQIIPTAEETWLGLKTIMEHVR
DNLY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2boa Chain B Residue 1403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2boa Detailed Molecular Comparison between the Inhibition Mode of A/B-Type Carboxypeptidases in the Zymogen State and by the Endogenous Inhibitor Latexin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H1069 E1072 H1196
Binding residue
(residue number reindexed from 1)		H164 E167 H291
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H1069 E1072 R1127 H1196 E1270
Catalytic site (residue number reindexed from 1) H164 E167 R222 H291 E365
Enzyme Commision number 3.4.17.-
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004181 metallocarboxypeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0042447 hormone catabolic process
GO:0043171 peptide catabolic process
Cellular Component
GO:0005575 cellular_component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2boa, PDBe:2boa, PDBj:2boa
PDBsum2boa
PubMed16091843
UniProtQ9UI42|CBPA4_HUMAN Carboxypeptidase A4 (Gene Name=CPA4)

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