5A4K

Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase

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 (A, B, C, D)	NAD(P)H DEHYDROGENASE [QUINONE] 1	polymer	294	33108.0	4	UniProt (P15559) Pfam (PF02525)	HOMO SAPIENS (HUMAN)	AZOREDUCTASE, DT-DIAPHORASE, DTD, MENADIONE REDUCTASE, NAD(P)H\:QUINONE OXIDOREDUCTASE 1, PHYLLOQUINONE REDUCTASE, QUINONE REDUCTASE 1, QR1, NADPH QUINONE OXIDOREDUCTASE
2	E, F, G, I (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	H, J (C, D)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
4	K, L, M, N (A, B, C, D)	water	water		18.0	1052	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 274 (UniProt: P15559)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Trp 139	Arg 139	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132431.9
Non-Polymers*	Number of molecules	6
	Total formula weight	3560.7
All*	Total formula weight	135992.6

*Water molecules are not included.