3S3G

Crystal Structure of Human Aldose Reductase Complexed with Tolmetin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aldose reductase	polymer	336	38069.7	1	UniProt (P15121) Pfam (PF00248)	Homo sapiens (human)	AR, Aldehyde reductase, Aldo-keto reductase family 1 member B1
2	B (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	C (A)	Tolmetin	non-polymer		257.3	1	Chemie (TLT)
4	D (A)	water	water		18.0	449	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	2
	Total formula weight	1000.7
All*	Total formula weight	39070.4

*Water molecules are not included.