Structure of PDB 6i6z Chain B Binding Site BS02

Receptor Information
>6i6z Chain B (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSTDTFNYATYHTLEEIYDFLDLLVAENPHLVSKIQIGNTYEGRPIYVLK
FSTGGSKRPAIWIDTGIHSREWVTQASGVWFAKKITQDYGQDAAFTAILD
TLDIFLEIVTNPDGFAFTHSTNRMWRKTRSHTAGSLCIGVDPNRNWDAGF
GLSGASSNPCSETYHGKFANSEVEVKSIVDFVKDHGNIKAFISIHSYSQL
LMYPYGYKTEPVPDQDELDQLSKAAVTALASLYGTKFNYGSIIKAIYQAS
GSTIDWTYSQGIKYSFTFELRDTGRYGFLLPASQIIPTAKETWLALLTIM
EHTLNHP
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 chain6i6z Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i6z Synthesis and Structural/Functional Characterization of Selective M14 Metallocarboxypeptidase Inhibitors Based on Phosphinic Pseudopeptide Scaffold: Implications on the Design of Specific Optical Probes.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		H179 E182 H306
Binding residue
(residue number reindexed from 1)		H68 E71 H195
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H179 E182 R237 H306 E380
Catalytic site (residue number reindexed from 1) H68 E71 R126 H195 E269
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6i6z, PDBe:6i6z, PDBj:6i6z
PDBsum6i6z
PubMed30688452
UniProtP15085|CBPA1_HUMAN Carboxypeptidase A1 (Gene Name=CPA1)

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