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Structure of PDB 1bm6 Chain A Binding Site BS05

Receptor Information
>1bm6 Chain A (length=173) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTF
SRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDD
DEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRF
RLSQDDINGIQSLYGPPPDSPET
Ligand information
Ligand IDHAV
InChIInChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyUSSBBYRBOWZYSB-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)[CH](N)C(=O)NO
OpenEye OEToolkits 1.5.0CC(C)[C@H](C(=O)NO)N
CACTVS 3.341CC(C)[C@@H](N)C(=O)NO
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)NO)N
ACDLabs 10.04O=C(NO)C(N)C(C)C
FormulaC5 H12 N2 O2
NameHYDROXYAMINOVALINE
ChEMBL
DrugBankDB02697
ZINCZINC000003997609
PDB chain1bm6 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bm6 Solution structure of the catalytic domain of human stromelysin-1 complexed to a potent, nonpeptidic inhibitor.
ResolutionN/A
Binding residue
(original residue number in PDB)		V163 A165 H201 H205
Binding residue
(residue number reindexed from 1)		V81 A83 H119 H123
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.89,Ki=13nM
Enzymatic activity
Catalytic site (original residue number in PDB) H201 E202 H205 H211
Catalytic site (residue number reindexed from 1) H119 E120 H123 H129
Enzyme Commision number 3.4.24.17: stromelysin 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:1bm6, PDBe:1bm6, PDBj:1bm6
PDBsum1bm6
PubMed9760240
UniProtP08254|MMP3_HUMAN Stromelysin-1 (Gene Name=MMP3)

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