4HWK

Crystal structure of human sepiapterin reductase in complex with sulfapyridine

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)	Sepiapterin reductase	polymer	288	31290.0	4	UniProt (P35270) Pfam (PF00106)	Homo sapiens (human)	SPR
2	AA, E, O, V (D, A, B, C)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	BA, DA, F, I, L... (D, A, B, C)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
4	G, H, J, M, Q... (A, B, C)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
5	CA, K, T, Y (D, A, B, C)	4-amino-N-(pyridin-2-yl)benzenesulfonamide	non-polymer		249.3	4	Chemie (SFY)
6	N, Z (A, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	338	Chemie (HOH)

Sequence modifications

A, B, C, D: -2 - 258 (UniProt: P35270)

PDB	External Database	Details
Met -29	-	expression tag
Ser -28	-	expression tag
Tyr -27	-	expression tag
Tyr -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
Leu -19	-	expression tag
Glu -18	-	expression tag
Ser -17	-	expression tag
Thr -16	-	expression tag
Ser -15	-	expression tag
Leu -14	-	expression tag
Tyr -13	-	expression tag
Lys -12	-	expression tag
Lys -11	-	expression tag
Ala -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Gly -6	-	expression tag
Val -5	-	expression tag
Arg -4	-	expression tag
Thr -3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	125160.1
Non-Polymers*	Number of molecules	26
	Total formula weight	5692.2
All*	Total formula weight	130852.4

*Water molecules are not included.