Structure of PDB 8k4z Chain A Binding Site BS02

Receptor Information
>8k4z Chain A (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLH
FRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFD
EDERWTDGSSLGINFLYAATHQLGHSLGMGHSSDPNAVMYPTYPQNFKLS
QDDIKGIQKLYGKR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8k4z 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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PDB8k4z Discovery of TP0628103: A Selective MMP-7 Inhibitor Based on the Mitigation of OATP Substrate Recognition through Isoelectric Point Shift Strategy
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D153 G185 L186 G187 D189
Binding residue
(residue number reindexed from 1)		D60 G92 L93 G94 D96
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.23: matrilysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k4z, PDBe:8k4z, PDBj:8k4z
PDBsum8k4z
PubMed
UniProtP09237|MMP7_HUMAN Matrilysin (Gene Name=MMP7)

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