Structure of PDB 7ju8 Chain B Binding Site BS05

Receptor Information
>7ju8 Chain B (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFM
LPDDDVQGIQSLYGPG
Ligand information
Ligand ID9DY
InChIInChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H
InChIKeyCBBNSZNUEUONCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(csnn1)c2ccncc2
CACTVS 3.385s1cc(nn1)c2ccncc2
OpenEye OEToolkits 2.0.6c1cnccc1c2csnn2
FormulaC7 H5 N3 S
Name4-(1,2,3-thiadiazol-4-yl)pyridine
ChEMBL
DrugBank
ZINCZINC000001383115
PDB chain7ju8 Chain B Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ju8 Indole Inhibitors of MMP-13 for Arthritic Disorders
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V219 H222 L239 F241 P242 I243
Binding residue
(residue number reindexed from 1)		V116 H119 L136 F138 P139 I140
Annotation score1
Enzymatic activity
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:7ju8, PDBe:7ju8, PDBj:7ju8
PDBsum7ju8
PubMed
UniProtP45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)

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