Brand  (β version)

PDB ID: 3QJ5

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Ligands
Code Name Style Show Link
022 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid PoSSuM
1PE Pentaethylene glycol PoSSuM
K Potassium ion PoSSuM
N2P Pentane-1,5-diamine PoSSuM
NAD Nicotinamide-adenine-dinucleotide PoSSuM
TRS 2-amino-2-hydroxymethyl-propane-1,3-diol PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3QJ5   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : S-nitrosoglutathione reductase (GSNOR) in complex with N6022
Release Data : 2011-04-06
Compound :
mol_id molecule chains synonym
1 Alcohol dehydrogenase class-3 A,B Alcohol dehydrogenase 5, Alcohol dehydrogenase class chi chain, Alcohol dehydrogenase class-III, Glutathione-dependent formaldehyde dehydrogenase, FALDH, FDH, GSH-FDH, S-(hydroxymethyl)glutathione dehydrogenase
ec: 1.1.1.1, 1.1.1.-, 1.1.1.284
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: ADH5, ADHX, FDH
expression_system_common: Fall armyworm
expression_system_cell_line: SF9
expression_system_vector_type: Baculovirus
expression_system_vector: plasmid
expression_system_plasmid: VCID 1792
Authors : Chun, L., Kim, H., Sun, X.
Keywords : S-NITROSOGLUTATHIONE REDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.

Sun, X.,Wasley, J.W.,Qiu, J.  et al.
(2011)  ACS Med Chem Lett  2 : 402 - 406

PubMed: 24900320
DOI: 10.1021/ml200045s

Reaction

Chain : A, B
UniProt : P11766 (ADHX_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a primary alcohol + NAD(+) = an aldehyde + H(+) + NADH 1.1.1.1 PubMed:8460164
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a secondary alcohol + NAD(+) = a ketone + H(+) + NADH 1.1.1.1 PubMed:8460164
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NADP(+) + S-(hydroxymethyl)glutathione = H(+) + NADPH + S- formylglutathione 1.1.1.284 PubMed:8460164
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NAD(+) + S-(hydroxymethyl)glutathione = H(+) + NADH + S- formylglutathione 1.1.1.284 PubMed:8460164
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20-oxo-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H2O + NAD(+) = (5Z,8Z,11Z,14Z)-eicosatetraenedioate + 2 H(+) + NADH - PubMed:16081420
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20-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + NAD(+) = 20- oxo-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) + NADH - PubMed:16081420
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