7Q6N

Structure of WrbA from Salmonella Typhimurium bound to ME0052

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)	polymer	231	24675.8	4	UniProt (Q8ZQ40) Pfam (PF03358)	Salmonella enterica subsp. enterica serovar Typhimurium	Flavoprotein WrbA,NAD(P)H:quinone oxidoreductase,NQO
2	E, G, J, M (A, C, D)	2-azanyl-4,6-bis(bromanyl)phenol	non-polymer		266.9	4	Chemie (8YX)
3	F, I, K, L (A, B, C, D)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	4	Chemie (FMN)
4	H (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	198	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 198 (UniProt: Q8ZQ40)

PDB	External Database	Details
Met -32	-	initiating methionine
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Gly -25	-	expression tag
Lys -24	-	expression tag
Pro -23	-	expression tag
Ile -22	-	expression tag
Pro -21	-	expression tag
Asn -20	-	expression tag
Pro -19	-	expression tag
Leu -18	-	expression tag
Leu -17	-	expression tag
Gly -16	-	expression tag
Leu -15	-	expression tag
Asp -14	-	expression tag
Ser -13	-	expression tag
Thr -12	-	expression tag
Glu -11	-	expression tag
Asn -10	-	expression tag
Leu -9	-	expression tag
Tyr -8	-	expression tag
Phe -7	-	expression tag
Gln -6	-	expression tag
Gly -5	-	expression tag
Ile -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Phe -1	-	expression tag
Thr 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	98703.1
Non-Polymers*	Number of molecules	9
	Total formula weight	3087.3
All*	Total formula weight	101790.4

*Water molecules are not included.