Structure of PDB 1y93 Chain A Binding Site BS06

Receptor Information
>1y93 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]
GPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTG
MADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTT
HSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDI
RGIQSLYG
Ligand information
Ligand IDHAE
InChIInChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
InChIKeyRRUDCFGSUDOHDG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NO)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)NO
FormulaC2 H5 N O2
NameACETOHYDROXAMIC ACID
ChEMBLCHEMBL734
DrugBankDB00551
ZINCZINC000004658603
PDB chain1y93 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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PDB1y93 Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Resolution1.03 Å
Binding residue
(original residue number in PDB)		H218 E219 H222 H228
Binding residue
(residue number reindexed from 1)		H113 E114 H117 H123
Annotation score1
Binding affinityMOAD: Kd=8mM
Enzymatic activity
Catalytic site (original residue number in PDB) H218 E219 H222 H228
Catalytic site (residue number reindexed from 1) H113 E114 H117 H123
Enzyme Commision number 3.4.24.65: macrophage elastase.
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:1y93, PDBe:1y93, PDBj:1y93
PDBsum1y93
PubMed15809432
UniProtP39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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