Structure of PDB 5h0u Chain A Binding Site BS04

Receptor Information
>5h0u Chain A (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLKWQHNEITFCIQNYTPKVGEYATYEAIRKAFRVWESATPLRFREVPYA
YIREGHEKQADIMIFFAEGFHGDSTPFDGEGGFLAHAYFPGPNIGGDTHF
DSAEPWTVRNEDLNGNDIFLVAVHELGHALGLEHSSDPSAIMAPFYQWMD
TENFVLPDDDRRGIQQLYGG
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 chain5h0u Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h0u Solvent water interactions within the active site of the membrane type I matrix metalloproteinase.
Resolution2.239 Å
Binding residue
(original residue number in PDB)
H186 D188 H201 H214
Binding residue
(residue number reindexed from 1)
H71 D73 H86 H99
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H239 E240 H243 H249
Catalytic site (residue number reindexed from 1) H124 E125 H128 H134
Enzyme Commision number 3.4.24.80: membrane-type matrix metalloproteinase-1.
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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Cellular Component
External links
PDB RCSB:5h0u, PDBe:5h0u, PDBj:5h0u
PDBsum5h0u
PubMed28951896
UniProtP50281|MMP14_HUMAN Matrix metalloproteinase-14 (Gene Name=MMP14)

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