Structure of PDB 5mun Chain A Binding Site BS01

Receptor Information
>5mun Chain A (length=182) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSAKIKLDAPTTRTTCTNNSFKQFDASFSFNEVELTKVETKGGTFASVSI
PGAFPTGEVGSPEVPAVRKLIAVPVGATPVVRVKSFTEQVYSLNQYGSEK
LMPHQPSMSKSDDPEKVPFVYNAAAYARKGFVGQELTQVEMLGTMRGVRI
AALTINPVQYDVVANQLKVRNNIEIEVSFQGA
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain5mun Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mun Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T33 C35
Binding residue
(residue number reindexed from 1)		T14 C16
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.47: gingipain K.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:5mun, PDBe:5mun, PDBj:5mun
PDBsum5mun
PubMed28196869
UniProtQ51817|KGP83_PORGN Lys-gingipain W83 (Gene Name=kgp)

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