6BYA

Crystal structure of LdBPK_091320 with inhibitor bound

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)	Uncharacterized protein	polymer	133	14872.5	4	UniProt (E9BA17) Pfam (PF00439) UniProt (by SIFTS) (A0A3Q8I8I6)	Leishmania donovani (strain BPK282A1)
2	E, G, I, K (A, B, C, D)	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole	non-polymer		509.0	4	Chemie (2LO)
3	F, H, J (A, B, C)	UNKNOWN ATOM OR ION	non-polymer			3	Chemie (UNX)
4	L, M, N, O (A, B, C, D)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A, B, C, D: 8 - 122 (UniProt: E9BA17)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	59490.0
Non-Polymers*	Number of molecules	7
	Total formula weight	2036.2
All*	Total formula weight	61526.2

*Water molecules are not included.