7TBD

Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Plasmepsin X	polymer	379	42613.8	2	UniProt (A0A1G4H6I9) Pfam (PF00026) UniProt (by SIFTS) (A5KAC3) In PDB	Plasmodium vivax (malaria parasite P. vivax)
2	C	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
3	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	A, B	(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide	non-polymer		504.6	2	Chemie (I0L)
5	B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	234	Chemie (HOH)

Sequence modifications

A, B: 184 - 545 (UniProt: A0A1G4H6I9)

PDB	External Database	Details
Leu 546	-	expression tag
Glu 547	-	expression tag
Asn 548	-	expression tag
Phe 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	85227.7
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1193.4
All*	Total formula weight	87432.1

*Water molecules are not included.