6I9A

Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lys-gingipain W83	polymer	461	51012.8	2	UniProt (Q51817) Pfam (PF01364) Pfam (PF03785) In PDB	Porphyromonas gingivalis	Lysine specific cysteine protease,Lysine-specific cysteine proteinase,Porphypain,PrtK48
2	A, B	UNKNOWN ATOM OR ION	non-polymer		23.0	4	Chemie (UNX)
3	A, B	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
4	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	A, B	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	non-polymer		630.7	2	Chemie (H8E)
6	A, B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
7	A, B	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
8	B	(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL	non-polymer		154.3	1	Chemie (DTV)
9		water	water		18.0	1580	Chemie (HOH)

Sequence modifications

A, B: 229 - 683 (UniProt: Q51817)

PDB	External Database	Details
His 684	-	expression tag
His 685	-	expression tag
His 686	-	expression tag
His 687	-	expression tag
His 688	-	expression tag
His 689	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102025.6
Non-Polymers*	Number of molecules	23
	Total formula weight	2789.1
All*	Total formula weight	104814.7

*Water molecules are not included.