7TBE

Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Plasmepsin X	polymer	379	42579.8	4	UniProt (A0A1G4H6I9) Pfam (PF00026) UniProt (by SIFTS) (A5KAC3) In PDB	Plasmodium vivax (malaria parasite P. vivax)
2	E	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	F, G	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	A, B, C, D	3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide	non-polymer		482.6	4	Chemie (I0I)
5	C	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	119	Chemie (HOH)

Sequence modifications

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

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	4
	Total formula weight	170319.3
Branched	Number of molecules	3
	Total formula weight	1435.3
Non-Polymers*	Number of molecules	5
	Total formula weight	2026.5
All*	Total formula weight	173781.2

*Water molecules are not included.