4XWY

Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue

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	275	29891.4	4	UniProt (P35270) Pfam (PF00106)	Homo sapiens (Human)	SPR
2	E, K, P, S (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	F, L, Q, T (A, B, C, D)	N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide	non-polymer		262.3	4	Chemie (43O)
4	G, H, I, J, M... (A, B, C, D)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
5	V, W, X, Y (A, B, C, D)	water	water		18.0	249	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -16	-	initiating methionine
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	119565.7
Non-Polymers*	Number of molecules	17
	Total formula weight	4895.5
All*	Total formula weight	124461.1

*Water molecules are not included.