Structure of PDB 2hu6 Chain A Binding Site BS07

Receptor Information
>2hu6 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 chain2hu6 Chain A Residue 269 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hu6 Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.
Resolution1.32 Å
Binding residue
(original residue number in PDB)		A182 H218 E219 H222 H228
Binding residue
(residue number reindexed from 1)		A77 H113 E114 H117 H123
Annotation score1
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:2hu6, PDBe:2hu6, PDBj:2hu6
PDBsum2hu6
PubMed16899369
UniProtP39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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