5JWC

Structure of NDH2 from plasmodium falciparum in complex with RYL-552

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, H	NADH dehydrogenase, putative	polymer	521	60299.2	2	UniProt (Q8I302) Pfam (PF07992) In PDB	Plasmodium falciparum (isolate 3D7)
2	A, H	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	A, H	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
4	A, H	FRAGMENT OF TRITON X-100	non-polymer		352.5	6	Chemie (TRT)
5	A, H	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one	non-polymer		427.4	4	Chemie (4W0)
6		water	water		18.0	448	Chemie (HOH)

Sequence modifications

A, H: 25 - 533 (UniProt: Q8I302)

PDB	External Database	Details
Met 13	-	initiating methionine
Arg 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
Gly 23	-	expression tag
Ser 24	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120598.4
Non-Polymers*	Number of molecules	20
	Total formula weight	5590.2
All*	Total formula weight	126188.6

*Water molecules are not included.