Structure of PDB 1ef3 Chain B

Receptor sequence

>1ef3B (length=315) Species: 9606 (Homo sapiens) [Search protein sequence]

ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQN
ENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLK
LDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDE
GLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQ
SKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIR
FPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCAL
LSCTSHKDYPFHEEF

3D structure

PDB

1ef3 A potent aldose reductase inhibitor, (2S,4S)-6-fluoro-2', 5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide (Fidarestat): its absolute configuration and interactions with the aldose reductase by X-ray crystallography.

Chain

Resolution

2.8 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D43 Y48 K77 H110
Catalytic site (residue number reindexed from 1)	D43 Y48 K77 H110
Enzyme Commision number	1.1.1.21: aldose reductase. 1.1.1.300: NADP-retinol dehydrogenase. 1.1.1.372: D/L-glyceraldehyde reductase. 1.1.1.54: allyl-alcohol dehydrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAP	B	G18 T19 W20 K21 D43 Y48 K77 H110 S159 N160 Q183 Y209 S210 L212 S214 P215 D216 A245 I260 P261 K262 S263 V264 T265 R268 E271 N272	G18 T19 W20 K21 D43 Y48 K77 H110 S159 N160 Q183 Y209 S210 L212 S214 P215 D216 A245 I260 P261 K262 S263 V264 T265 R268 E271 N272
BS02	FID	B	W20 V47 Y48 W79 H110 W111 W219 C298 L300	W20 V47 Y48 W79 H110 W111 W219 C298 L300	BindingDB: IC50=35nM,Kd=16nM

Gene Ontology

	Molecular Function
GO:0001758	retinal dehydrogenase activity
GO:0004032	aldose reductase (NADPH) activity
GO:0005515	protein binding
GO:0009055	electron transfer activity
GO:0016491	oxidoreductase activity
GO:0036130	prostaglandin H2 endoperoxidase reductase activity
GO:0043795	glyceraldehyde oxidoreductase activity
GO:0047655	allyl-alcohol dehydrogenase activity
GO:0047939	L-glucuronate reductase activity
GO:0047956	glycerol dehydrogenase (NADP+) activity
GO:0052650	all-trans-retinol dehydrogenase (NADP+) activity

	Biological Process
GO:0001523	retinoid metabolic process
GO:0002070	epithelial cell maturation
GO:0003091	renal water homeostasis
GO:0005975	carbohydrate metabolic process
GO:0006629	lipid metabolic process
GO:0006693	prostaglandin metabolic process
GO:0006700	C21-steroid hormone biosynthetic process
GO:0019853	L-ascorbic acid biosynthetic process
GO:0035809	regulation of urine volume
GO:0042572	retinol metabolic process
GO:0043066	negative regulation of apoptotic process
GO:0044597	daunorubicin metabolic process
GO:0044598	doxorubicin metabolic process
GO:0046370	fructose biosynthetic process
GO:0071475	cellular hyperosmotic salinity response
GO:0072205	metanephric collecting duct development

	Cellular Component
GO:0005615	extracellular space
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol
GO:0070062	extracellular exosome

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:1ef3, PDBe:1ef3, PDBj:1ef3
PDBsum	1ef3
PubMed	10882376
UniProt	P15121\|ALDR_HUMAN Aldo-keto reductase family 1 member B1 (Gene Name=AKR1B1)

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