2YAU

X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	TRYPANOTHIONE REDUCTASE	polymer	511	55257.5	2	UniProt (A4HSF7) Pfam (PF07992) Pfam (PF02852)	LEISHMANIA INFANTUM
2	C, I (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, J (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4	E, K (A, B)	GOLD ION	non-polymer		197.0	2	Chemie (AU)
5	F, L (A, B)	2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose	non-polymer		364.4	2	Chemie (TS8)
6	G, M (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	H, N (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)

Sequence modifications

A, B: 1 - 491 (UniProt: A4HSF7)

PDB	External Database	Details
Met -19	-	expression tag
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	2
	Total formula weight	110515.1
Non-Polymers*	Number of molecules	12
	Total formula weight	4447.6
All*	Total formula weight	114962.7

*Water molecules are not included.