3R2J

Crystal Structure of PnC1 from L. infantum in complex with nicotinate

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)	Alpha/beta-hydrolase-like protein	polymer	227	24046.8	4	UniProt (A4HRG8) Pfam (PF00857)	Leishmania infantum
2	E, G, J, L (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, H, K, M (A, B, C, D)	NICOTINIC ACID	non-polymer		123.1	4	Chemie (NIO)
4	I, N (B, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	119	Chemie (HOH)

Sequence modifications

A, B, C, D: 14 - 218 (UniProt: A4HRG8)

PDB	External Database	Details
Met -8	-	expression tag
Ala -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Val 0	-	expression tag
Gly 1	-	expression tag
Thr 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag
Asn 5	-	expression tag
Asp 6	-	expression tag
Asp 7	-	expression tag
Asp 8	-	expression tag
Asp 9	-	expression tag
Lys 10	-	expression tag
Ser 11	-	expression tag
Pro 12	-	expression tag
Asp 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96187.3
Non-Polymers*	Number of molecules	10
	Total formula weight	825.0
All*	Total formula weight	97012.3

*Water molecules are not included.