Literature summary for 3.4.22.47 extracted from

Guevara, T.; Rodriguez-Banqueri, A.; Lasica, A.M.; Ksiazek, M.; Potempa, B.A.; Potempa, J.; Gomis-Rueth, F.X.
Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor (2019), Sci. Rep., 9, 4935 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
sitting-drop vapor diffusion method, high-resolution (1.20 A) complex structure of the enzyme with KYT-36. Sub-nanomolar inhibition of Kgp is achieved by tight binding to the active-site cleft, which is covered for its sub-sites S3 through S1' under establishment of nine hydrophobic interactions, 14 hydrogen bonds and one salt bridge. In addition, an inhibitor carbonyl carbon that mimics the scissile carbonyl of substrates is pyramidalized and just 2.02 A away from the catalytic nucleophile of Kgp, C477Sgamma	Porphyromonas gingivalis

Crystallization (Comment)

Organism

sitting-drop vapor diffusion method, high-resolution (1.20 A) complex structure of the enzyme with KYT-36. Sub-nanomolar inhibition of Kgp is achieved by tight binding to the active-site cleft, which is covered for its sub-sites S3 through S1' under establishment of nine hydrophobic interactions, 14 hydrogen bonds and one salt bridge. In addition, an inhibitor carbonyl carbon that mimics the scissile carbonyl of substrates is pyramidalized and just 2.02 A away from the catalytic nucleophile of Kgp, C477Sgamma

Porphyromonas gingivalis

Inhibitors

Inhibitors	Comment	Organism	Structure
benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate	i.e. KYT-36, peptide-derived, potent, bioavailable and highly selective inhibitor	Porphyromonas gingivalis

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
extracellular	-	Porphyromonas gingivalis	-	-

Organism

Organism	UniProt	Comment	Textmining
Porphyromonas gingivalis	Q51817	-	-
Porphyromonas gingivalis W83	Q51817	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
culture fluid	-	Porphyromonas gingivalis	-

Synonyms

Synonyms	Comment	Organism
KGP	-	Porphyromonas gingivalis

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Release 2023.1 (January 2023)