3V35

Aldose reductase complexed with a nitro compound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Aldose reductase	polymer	336	38069.7	1	UniProt (P15121) Pfam (PF00248) In PDB	Homo sapiens (human)	AR, Aldehyde reductase, Aldo-keto reductase family 1 member B1
2	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	A	2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate	non-polymer		307.3	1	Chemie (NTI)
4	A	DIMETHYLFORMAMIDE	non-polymer		73.1	23	Chemie (DMF)
5		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A: 0 - 315 (UniProt: P15121)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38069.7
Non-Polymers*	Number of molecules	25
	Total formula weight	2731.8
All*	Total formula weight	40801.5

*Water molecules are not included.