9QS8

Crystal Structure of Mycobacterium smegmatis thioredoxin reductase in complex with Z2997505083

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Thioredoxin reductase	polymer	319	34578.7	1	UniProt (I7FW12)	Mycolicibacterium smegmatis MC2 155
2	B (B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	C (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
4	D, E (B)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI) PubChem (9084)
5	F (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
6	G (B)	2-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1,3-thiazole-5-carboxamide	non-polymer		224.2	1	Chemie (A1JAC) PubChem (139019274)
7	H (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS) PubChem (679)
8	I (B)	water	water		18.0	186	Chemie (HOH)

Sequence modifications

B: 1 - 311 (UniProt: I7FW12)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34578.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1408.4
All*	Total formula weight	35987.1

*Water molecules are not included.