Structure of PDB 7od0 Chain BBB Binding Site BS03

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 405 [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)		W236 D239 S242 Q255 G256
Binding residue
(residue number reindexed from 1)		W177 D180 S183 Q196 G197
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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