5JDI

Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)

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	30669.8	3	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
2	C	Pteridine reductase	polymer	288	30685.8	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, C	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A, B, D	3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one	non-polymer		270.2	3	Chemie (6JO)
6		water	water		18.0	905	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	122695.2
Non-Polymers*	Number of molecules	10
	Total formula weight	3961.5
All*	Total formula weight	126656.6

*Water molecules are not included.