Structure of PDB 1eub Chain A Binding Site BS01
Receptor Information
>1eub Chain A (length=171) Species:
9606
(Homo sapiens) [
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YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFM
LPDDDVQGIQSLYGPGDEDPN
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1eub Chain A Residue 275 [
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Receptor-Ligand Complex Structure
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PDB
1eub
Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
Resolution
N/A
Binding residue
(original residue number in PDB)
H172 H187 H200
Binding residue
(residue number reindexed from 1)
H69 H84 H97
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
H222 E223 H226 H232
Catalytic site (residue number reindexed from 1)
H119 E120 H123 H129
Enzyme Commision number
3.4.24.-
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:1eub
,
PDBe:1eub
,
PDBj:1eub
PDBsum
1eub
PubMed
10926524
UniProt
P45452
|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)
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