9PVN

Human malic enzyme 3 complex with inhibitor NPD-389 at 1.82 Angstrom.

This is a non-PDB format compatible entry.

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)	NADP-dependent malic enzyme, mitochondrial	polymer	571	64188.8	2	UniProt (Q16798) Pfam (PF00390) Pfam (PF03949)	Homo sapiens (human)	NADP-ME,Malic enzyme 3
2	C, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
3	D, K (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	E, L (A, B)	2~3~,2~6~-dihydroxy-1~4~,3~4~-dimethoxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione	non-polymer		352.3	2	Chemie (A1AE5) PubChem (631768)
5	F, G, H, I, M... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
6	S, T (A, B)	water	water		18.0	860	Chemie (HOH)

Sequence modifications

A, B: 44 - 604 (UniProt: Q16798)

PDB	External Database	Details
Met 43	-	initiating methionine
Thr 605	-	expression tag
Arg 606	-	expression tag
Glu 607	-	expression tag
His 608	-	expression tag
His 609	-	expression tag
His 610	-	expression tag
His 611	-	expression tag
His 612	-	expression tag
His 613	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128377.5
Non-Polymers*	Number of molecules	16
	Total formula weight	2860.8
All*	Total formula weight	131238.3

*Water molecules are not included.