Brand  (β version)

PDB ID: 4H80

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Ligands
Code Name Style Show Link
04T N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4H80   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Crystal structure of human ALDH3A1 with its isozyme selective inhibitor - N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
Release Data : 2013-12-25
Compound :
mol_id molecule chains synonym
1 Aldehyde dehydrogenase, dimeric NADP-preferring A,B,C,D,E,F,G,H ALDHIII, Aldehyde dehydrogenase 3, Aldehyde dehydrogenase family 3 member A1
ec: 1.2.1.5
mutation: S133A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: ALDH3, ALDH3A1
expression_system_vector_type: Plasmid
expression_system_plasmid: pET28a
Authors : Hurley, T.D., Parajuli, B.
Keywords : Catalyzes benzaldehyde, Rossmann fold, Dehydrogenase, NADP+ binding, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.50 Å )
Citation :

Kinetic and Structural Characterization of a Selective Inhibitor for Human ALDH3A1

Parajuli, B.,Georgiadis, T.,Fishel, M.L.  et al.
To be Published 

Reaction

Chain : A, B, C, D, E, F, G, H
UniProt : P30838 (AL3A1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
an aldehyde + H2O + NAD(+) = a carboxylate + 2 H(+) + NADH 1.2.1.5 PubMed:1737758, PubMed:22021038
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H2O + NAD(+) + octanal = 2 H(+) + NADH + octanoate - UniProtKB:P47739
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