Structure of PDB 8ehe Chain A Binding Site BS04

Receptor Information
>8ehe Chain A (length=353) Species: 28112 (Tannerella forsythia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTQTDPLYPQQYYLNNTGQFGGTNNIDINAPEAWNITTGNTSVRVAVIDD
GVEAHEDMAGRLLPGFTARSSAENPNRNGAPNNTNPPSTPYPNDNDSPIG
HGQACAGIIAANHNGMGIRGIAPQVRIIPINIFNDWFIDQIFNGYYWMDF
VRYRETVQDIANAIDAAWDTHSADILSNSWGYGTTPNSADAIVAAINRAR
TQGRDGRGCPVIFASGNAWGQQGVTDVAFPGNVEGVITVGAIDNRGNIWN
YSQRGASMDLVAPSGGVPGNIVTTDRMGNFGYNNTNYTNTFNGTSAACPQ
VAGVAALMLSVRPDLTEAQVRTILQNTARDLGSAGFDNTYGYGLVDAHAA
VAP
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 chain8ehe Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ehe A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		D187 D239 N294 N296 M298 I300
Binding residue
(residue number reindexed from 1)		D5 D57 N112 N114 M116 I118
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8ehe, PDBe:8ehe, PDBj:8ehe
PDBsum8ehe
PubMed36755705
UniProtA0A0A7KVG3

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