Structure of PDB 8k5x Chain B Binding Site BS07

Receptor Information
>8k5x Chain B (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELD
SATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVI
DDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGL
LAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHS
SVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG
Ligand information
Ligand ID2HP
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)O
CACTVS 3.341O[P](O)([O-])=O
FormulaH2 O4 P
NameDIHYDROGENPHOSPHATE ION
ChEMBL
DrugBankDB02831
ZINC
PDB chain8k5x Chain B Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k5x Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T157 R158
Binding residue
(residue number reindexed from 1)		T120 R121
Annotation score4
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:8k5x, PDBe:8k5x, PDBj:8k5x
PDBsum8k5x
PubMed37952596
UniProtP14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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