Brand  (β version)

PDB ID: 3FX4

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
FX4 [(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3FX4   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Porcine aldehyde reductase in ternary complex with inhibitor
Release Data : 2009-12-22
Compound :
mol_id molecule chains synonym
1 Alcohol dehydrogenase [NADP+] A Aldehyde reductase, Aldo-keto reductase family 1 member A1
ec: 1.1.1.2
Source :
mol_id organism_scientific organism_common
1 Sus scrofa  (taxid:9823) Pig
tissue: kidney
Authors : Carbone, V., El-Kabbani, O.
Keywords : TIM BARREL, ALDO-KETO REDUCTASE, TERNARY COMPLEX, Acetylation, NADP, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.99 Å )
Citation :

Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.

Carbone, V.,Giglio, M.,Chung, R.  et al.
(2010)  Eur.J.Med.Chem.  45 : 1140 - 1145

PubMed: 20036445
DOI: 10.1016/j.ejmech.2009.12.019

Reaction

Chain : A
UniProt : P50578 (AK1A1_PIG)
Reaction: EC: Evidence:
Physiological Direction:
a primary alcohol + NADP(+) = an aldehyde + NADPH + H(+) 1.1.1.2 PubMed:12732097
-
glycerol + NADP(+) = D-glyceraldehyde + NADPH + H(+) 1.1.1.372 PubMed:12732097
-
glycerol + NADP(+) = L-glyceraldehyde + NADPH + H(+) 1.1.1.372 PubMed:12732097
-
L-gulonate + NADP(+) = aldehydo-D-glucuronate + NADPH + H(+) 1.1.1.19 UniProtKB:P51635
-
L-gulono-1,4-lactone + NADP(+) = D-glucurono-3,6-lactone + NADPH + H(+) 1.1.1.20 UniProtKB:P51635
-
allyl alcohol + NADP(+) = acrolein + NADPH + H(+) 1.1.1.54 UniProtKB:P51635
-
hydroxyacetone + NADP(+) = methylglyoxal + NADPH + H(+) - UniProtKB:P51635
-
3-deoxyfructose + NADP(+) = 3-deoxyglucosone + NADPH + H(+) - UniProtKB:P51635
-
(R)-mevalonate + NADP(+) = (R)-mevaldate + NADPH + H(+) - UniProtKB:P51635
-
pyridine 3-methanol + NADP(+) = pyridine-3-carbaldehyde + NADPH + H(+) - PubMed:12732097
-
S-nitroso-CoA + NADPH + H(+) = sulfinamide-CoA + NADP(+) - UniProtKB:P14550
left-to-right
S-nitrosoglutathione + NADPH + H(+) = S- (hydroxysulfenamide)glutathione + NADP(+) - UniProtKB:Q9JII6
-