4CF6

Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution

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)	NAD(P)H DEHYDROGENASE [QUINONE] 1	polymer	294	33068.9	2	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	C, E (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, F (A, B)	CIBACRON BLUE	non-polymer		774.2	2	Chemie (CBD)
4	G, H (A, B)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A, B: 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
Ser 187	Pro 187	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66137.9
Non-Polymers*	Number of molecules	4
	Total formula weight	3119.4
All*	Total formula weight	69257.3

*Water molecules are not included.