Structure of PDB 7od0 Chain BBB Binding Site BS01

Receptor Information
>7od0 Chain BBB (length=268) Species: 28112 (Tannerella forsythia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSSTILIPVVVHVVYNNSAQNISDAQIISQIQVLNEDFRRMNADQANTPS
AFANLAGNANIEFKLARRDPNGNTTNGITRTSTSTETFSMEMDNVKFSNL
GGNNAWNTRRYLNIWVCNLDLLGYAQFPFEFQTKPNTDGVVIHYKHFGRD
GSAESPYDKGRTATHEVGHWLDLRHIWGDDGGSCSGTDNIADTPNQGGYN
EGCPSFPKTDHCTNTSPGVMFMNYMDYTYDACMNLFTKGQVERMRSLFDT
QTGIRREMQIYANELTNP
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 BBB Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		L122 H165 Y227 M233
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

[Back to BioLiP]