3O0K

Crystal structure of ALDO/KETO reductase from brucella melitensis

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)	Aldo/keto reductase	polymer	283	31711.9	4	UniProt (Q2YII2) Pfam (PF00248)	Brucella melitensis biovar
2	E, G, I, K (A, B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	F, H, J, L (A, B, C, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	M, N, O, P (A, B, C, D)	water	water		18.0	751	Chemie (HOH)

Sequence modifications

A, B, C, D: 19 - 279 (UniProt: Q2YII2)

PDB	External Database	Details
Met -3	-	expression tag
Ala -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
Met 5	-	expression tag
Gly 6	-	expression tag
Thr 7	-	expression tag
Leu 8	-	expression tag
Glu 9	-	expression tag
Ala 10	-	expression tag
Gln 11	-	expression tag
Thr 12	-	expression tag
Gln 13	-	expression tag
Gly 14	-	expression tag
Pro 15	-	expression tag
Gly 16	-	expression tag
Ser 17	-	expression tag
Met 18	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	126847.7
Non-Polymers*	Number of molecules	8
	Total formula weight	616.6
All*	Total formula weight	127464.4

*Water molecules are not included.