Structure of PDB 7od0 Chain CCC Binding Site BS01

Receptor Information
>7od0 Chain CCC (length=270) Species: 28112 (Tannerella forsythia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSSTILIPVVVHVVYNNSAQNISDAQIISQIQVLNEDFRRMNADQANTPS
AFANLAGNANIEFKLARRDPNGNTTNGITRTSTSTETFSMEMDNVKFSNL
GGNNAWNTRRYLNIWVCNLGDDLLGYAQFPFEFQTKPNTDGVVIHYKHFG
RDGSAESPYDKGRTATHEVGHWLDLRHIWGDDGGSCSGTDNIADTPNQGG
YNEGCPSFPKTDHCTNTSPGVMFMNYMDYTYDACMNLFTKGQVERMRSLF
DTQTGIRREMQIYANELTNP
Ligand information
Ligand IDV7Q
InChIInChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
InChIKeyHMEXAOROCQLCJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)nsn2)CN
CACTVS 3.385NCc1cccc2nsnc12
FormulaC7 H7 N3 S
Name2,1,3-benzothiadiazol-4-ylmethanamine;
Benzo[c][1,2,5]thiadiazol-4-ylmethanamine;
2795209
ChEMBL
DrugBank
ZINCZINC000002548455
PDB chain7od0 Chain CCC Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7od0 Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L181 H224 Y286 M292
Binding residue
(residue number reindexed from 1)		L124 H167 Y229 M235
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:7od0, PDBe:7od0, PDBj:7od0
PDBsum7od0
PubMed34210221
UniProtA0A0F7IPS1

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