8W10

Plasmodium vivax PMX-MK7602 inhibitor complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Aspartyl protease, putative	polymer	379	42579.8	2	UniProt (A5KAC3) Pfam (PF00026)	Plasmodium vivax Sal-1
2	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	D, I (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E, J (A, B)	(2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide	non-polymer		520.6	2	Chemie (ZRN)
5	F, G, K (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	H (B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
7	L, M (A, B)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

A, B: 184 - 545 (UniProt: A5KAC3)

PDB	External Database	Details
Leu 546	-	expression tag
Glu 547	-	expression tag
Asn 548	-	expression tag
Leu 549	-	expression tag
Tyr 550	-	expression tag
Phe 551	-	expression tag
Gln 552	-	expression tag
Gly 553	-	expression tag
Asp 554	-	expression tag
Tyr 555	-	expression tag
Lys 556	-	expression tag
Asp 557	-	expression tag
Asp 558	-	expression tag
Asp 559	-	expression tag
Asp 560	-	expression tag
Lys 561	-	expression tag
His 562	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85159.7
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1734.8
All*	Total formula weight	87318.9

*Water molecules are not included.