5JDC

Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D	Pteridine reductase	polymer	288	30685.8	3	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
2	C	Pteridine reductase	polymer	288	30733.8	1	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
3	A, B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
4	A, B, C, D	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one	non-polymer		302.3	4	Chemie (6JP)
5	A, C	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
6	C	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	257	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -19	-	initiating methionine
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

C: 1 - 268 (UniProt: O76290)

PDB	External Database	Details
Met -19	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122791.1
Non-Polymers*	Number of molecules	11
	Total formula weight	4392.9
All*	Total formula weight	127184.1

*Water molecules are not included.