Structure of PDB 7od0 Chain BBB Binding Site BS04

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7od0 Chain BBB Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D247 I249 T252
Binding residue
(residue number reindexed from 1)		D188 I190 T193
Annotation score4
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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