4CET

Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 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 (A)	NAD(P)H DEHYDROGENASE [QUINONE] 1	polymer	294	33068.9	1	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	B (A)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	C (A)	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]	non-polymer		336.3	1	Chemie (DTC)
4	D (A)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	33068.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1121.8
All*	Total formula weight	34190.8

*Water molecules are not included.