8D24

Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Chaperone DnaK	polymer	397	44360.4	1	UniProt (W4J0F1) Pfam (PF00012) In PDB	Plasmodium falciparum
2	A	4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile	non-polymer		556.4	1	Chemie (3FD)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	302	Chemie (HOH)

Sequence modifications

A: 26 - 404 (UniProt: W4J0F1)

PDB	External Database	Details
Met 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
Ser 15	-	expression tag
Ser 16	-	expression tag
Gly 17	-	expression tag
Arg 18	-	expression tag
Glu 19	-	expression tag
Asn 20	-	expression tag
Leu 21	-	expression tag
Tyr 22	-	expression tag
Phe 23	-	expression tag
Gln 24	-	expression tag
Gly 25	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44360.4
Non-Polymers*	Number of molecules	3
	Total formula weight	748.5
All*	Total formula weight	45108.9

*Water molecules are not included.