5TCM

First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536

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 (A, B, C)	Uncharacterized protein	polymer	130	14655.3	3	UniProt (E9BA17) Pfam (PF00439) UniProt (by SIFTS) (A0A3Q8I8I6)	Leishmania donovani (strain BPK282A1)
2	D, F, I (A, B, C)	4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide	non-polymer		521.7	3	Chemie (R78)
3	E, G, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	J, K, L (A, B, C)	water	water		18.0	214	Chemie (HOH)

Sequence modifications

A, B, C: 5 - 116 (UniProt: E9BA17)

PDB	External Database	Details
Met -13	-	initiating methionine
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Ser -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Arg -3	-	expression tag
Glu -2	-	expression tag
Asn -1	-	expression tag
Leu 0	-	expression tag
Tyr 1	-	expression tag
Phe 2	-	expression tag
Gln 3	-	expression tag
Gly 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	43965.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1751.2
All*	Total formula weight	45716.9

*Water molecules are not included.