Structure of PDB 1dtd Chain A Binding Site BS01

Receptor Information
>1dtd Chain A (length=303) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNFGAYHTLEEISQEMDNLVAEHPGLVSKVNIGSSFENRPMNVLKFSTGG
DKPAIWLDAGIHAREWVTQATALWTANKIVSDYGKDPSITSILDALDIFL
LPVTNPDGYVFSQTKNRMWRKTRSKVSAGSLCVGVDPNRNWDAGFGGPGA
SSNPCSDSYHGPSANSEVEVKSIVDFIKSHGKVKAFIILHSYSQLLMFPY
GYKCTKLDDFDELSEVAQKAAQSLSRLHGTKYKVGPICSVIYQASGGSID
WSYDYGIKYSFAFELRDTGRYGFLLPARQILPTAEETWLGLKAIMEHVRD
HPY
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 chain1dtd Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dtd Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H424 E427 H552
Binding residue
(residue number reindexed from 1)		H62 E65 H190
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H424 E427 R482 H552 E626
Catalytic site (residue number reindexed from 1) H62 E65 R120 H190 E264
Enzyme Commision number 3.4.17.15: carboxypeptidase A2.
Gene Ontology
Molecular Function
GO:0004181 metallocarboxypeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1dtd, PDBe:1dtd, PDBj:1dtd
PDBsum1dtd
PubMed10742178
UniProtP48052|CBPA2_HUMAN Carboxypeptidase A2 (Gene Name=CPA2)

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