9HUV

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor F224

This is a non-PDB format compatible entry.

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)	Pteridine reductase	polymer	289	30817.0	4	UniProt (O76290)	Trypanosoma brucei brucei
2	E, I, L, M (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	F, J, N (A, B, D)	2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide	non-polymer		376.3	3	Chemie (A1IXS) PubChem (177692752)
4	G, K (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT) PubChem (175)
5	H, O (A, D)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	P, Q, R, S (A, B, C, D)	water	water		18.0	665	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 268 (UniProt: O76290)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	123267.9
Non-Polymers*	Number of molecules	11
	Total formula weight	4352.7
All*	Total formula weight	127620.6

*Water molecules are not included.