Structure of PDB 6esm Chain A Binding Site BS07

Receptor Information
>6esm Chain A (length=158) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYS
RDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWS
LGKGVGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDV
NGIRHLYG
Ligand information
Ligand IDPZE
InChIInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
InChIKeyGLUUGHFHXGJENI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C1CNCCN1
ACDLabs 12.01N1CCNCC1
FormulaC4 H10 N2
Namepiperazine
ChEMBLCHEMBL1412
DrugBankDB00592
ZINCZINC000005850277
PDB chain6esm Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6esm Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
Resolution1.104 Å
Binding residue
(original residue number in PDB)		Y179 A191 F192
Binding residue
(residue number reindexed from 1)		Y68 A80 F81
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.24.35: gelatinase B.
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:6esm, PDBe:6esm, PDBj:6esm
PDBsum6esm
PubMed29727184
UniProtP14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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