Brand  (β version)

PDB ID: 1DWO

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ACN Acetone PoSSuM
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Structure summary

Code : 1DWO   PDBj   RCSB PDB   PDBe
Header : HYDROXYNITRILE LYASE
Title : Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with Substrates Acetone and Chloroacetone:Implications for the Mechanism of Cyanogenesis
Release Data : 2000-12-07
Compound :
mol_id molecule chains synonym
1 HYDROXYNITRILE LYASE A,B (S)-ACETONE-CYANOHYDRIN LYASE, (S)-HYDROXYNITRILASE
ec: 4.2.1.37
other_details: ACETONE COMPLEX
Source :
mol_id organism_scientific organism_common expression_system
1 MANIHOT ESCULENTA  (taxid:3983) CASSAVA ESCHERICHIA COLI  (taxid:562)
other_details: RECOMBINANT PROTEIN
Authors : Lauble, H., Forster, S., Miehlich, B., Wajant, H., Effenberger, F.
Keywords : HYDROXYNITRILE LYASE, ACETONE COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.2 Å )
Citation :

Structure of Hydroxynitrile Lyase from Manihot Esculenta in Complex with Substrates Acetone and Chloroacetone: Implications for the Mechanism of Cyanogenesis

Lauble, H.,Forster, S.,Miehlich, B.  et al.
(2001)  Acta Crystallogr.,Sect.D  57 : 194

PubMed: 11173464
DOI: 10.1107/S0907444900015766

Reaction

Chain : A, B
UniProt : P52705 (HNL_MANES)
Reaction: EC: Evidence:
Physiological Direction:
a monosubstituted aliphatic (S)-hydroxynitrile = an aldehyde + hydrogen cyanide 4.1.2.47 Ref.2
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a disubstituted aliphatic (S)-hydroxynitrile = a ketone + hydrogen cyanide 4.1.2.47 Ref.2, PubMed:8203915
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an aromatic (S)-hydroxynitrile = an aromatic aldehyde + hydrogen cyanide 4.1.2.47 Ref.2
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2-hydroxy-2-methylpropanenitrile = acetone + hydrogen cyanide - PubMed:11316882, PubMed:11742123, PubMed:8203915, PubMed:8824213
left-to-right PubMed:11316882, PubMed:8203915, PubMed:8824213
butan-2-one + hydrogen cyanide = 2-hydroxy-2- methylbutanenitrile - PubMed:8203915, Ref.2
right-to-left PubMed:8203915
pentan-2-one + hydrogen cyanide = (2S)-2-hydroxy-2- methylpentanenitrile - Ref.2, PubMed:8203915
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hexan-2-one + hydrogen cyanide = (2S)-2-hydroxy-2- methylhexanenitrile - Ref.2
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heptan-2-one + hydrogen cyanide = (2S)-2-hydroxy-2- methylheptanenitrile - Ref.2
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4-methylpentan-2-one + hydrogen cyanide = (2S)-2-hydroxy-2,4- dimethylpentanenitrile - Ref.2
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3,3-dimethylbutan-2-one + hydrogen cyanide = (2S)-2-hydroxy-2- methyl-3,3-dimethylbutanenitrile - Ref.2
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acetophenone + hydrogen cyanide = (2S)-2-hydroxy-2- phenylpropanenitrile - Ref.2
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propanal + hydrogen cyanide = (2S)-2-hydroxybutanenitrile - Ref.2
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pentanal + hydrogen cyanide = (2S)-2-hydroxyhexanenitrile - Ref.2
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2-methylpropanal + hydrogen cyanide = (2S)-2-hydroxy-3- methylbutanenitrile - Ref.2
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2,2-dimethylpropanal + hydrogen cyanide = (2S)-2-hydroxy-3,3- dimethylbutanenitrile - Ref.2
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acrolein + hydrogen cyanide = (2S)-2-hydroxybut-3-enenitrile - Ref.2
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(2E)-but-2-enal + hydrogen cyanide = (2S,3E)-2-hydroxypent-3- enenitrile - Ref.2
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(E)-hex-2-enal + hydrogen cyanide = (2S,3E)-2-hydroxyhept-3- enenitrile - Ref.2
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cyclohexanecarbaldehyde + hydrogen cyanide = (2S)-2- cyclohexyl-2-hydroxyacetonitrile - Ref.2
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benzaldehyde + hydrogen cyanide = (S)-mandelonitrile - Ref.2, PubMed:11742123
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4-methoxybenzaldehyde + hydrogen cyanide = (2S)-2-hydroxy-2- (4-methoxyphenyl)acetonitrile - Ref.2
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piperonal + hydrogen cyanide = (2S)-2-(2H-1,3-benzodioxol-5- yl)-2-hydroxyacetonitrile - Ref.2
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formylthiophene + hydrogen cyanide = (2R)-2-hydroxy-2- (thiophen-2-yl)acetonitrile - Ref.2
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3-formylthiophene + hydrogen cyanide = (2S)-2-hydroxy-2- (thiophen-3-yl)acetonitrile - Ref.2
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furan-3-carbaldehyde + hydrogen cyanide = (2S)-2-(furan-3-yl)- 2-hydroxyacetonitrile - Ref.2
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