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Literature summary extracted from

  • Martinez, S.; Wu, R.; Sanishvili, R.; Liu, D.; Holz, R.
    The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile (2014), J. Am. Chem. Soc., 136, 1186-1189.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
4.2.1.84 purified recombinant enzyme, free or in complex with inhibitors 1-butaneboronic acid and phenylboronic acid, X-ray diffraction structure determination and analysis at 1.2-1.9 A resolution Pseudonocardia thermophila

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.2.1.84 1-butaneboronic acid competitive inhibitor, binds directly to the low-spin Co(III) ion in the active site of PtNHase; competitive inhibitor, binds directly to the low-spin Co(III) ion in the active site of PtNHase Pseudonocardia thermophila
4.2.1.84 additional information enzyme-boronic acid complexes represent a snapshot of reaction intermediates; enzyme-boronic acid complexes represent a snapshot of reaction intermediates Pseudonocardia thermophila
4.2.1.84 phenylboronic acid competitive inhibitor, binds to the enzyme active site; competitive inhibitor, binds to the enzyme active site Pseudonocardia thermophila

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
4.2.1.84 Co2+ Co-type NHase Pseudonocardia thermophila

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.84 Pseudonocardia thermophila Q7SID2 alpha-subunit
-
4.2.1.84 Pseudonocardia thermophila Q7SID3 beta-subunit
-
4.2.1.84 Pseudonocardia thermophila JCM 3095 Q7SID2 alpha-subunit
-
4.2.1.84 Pseudonocardia thermophila JCM 3095 Q7SID3 beta-subunit
-

Reaction

EC Number Reaction Comment Organism Reaction ID
4.2.1.84 an aliphatic amide = a nitrile + H2O mechanism of action for the hydration of nitriles by NHase, overview. The cysteine-sulfenic acid ligand acts as the catalytic nucleophile. The first step in catalysis involves the direct ligation of the nitrile to the active site lowspin, trivalent metal ion. One proton transfer occurs between the alphaCys113-OH ligand and the nitrile N-atom, while the second transfer occurs between the water molecule that reforms alphaCys113-OH and the newly forming imidate N-atom Pseudonocardia thermophila
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.84 acetonitrile + H2O
-
 Pseudonocardia thermophila acetamide
-
 ?
4.2.1.84 acetonitrile + H2O
-
 Pseudonocardia thermophila JCM 3095 acetamide
-
 ?

Synonyms

EC Number Synonyms Comment Organism
4.2.1.84 NHase
-
 Pseudonocardia thermophila

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
4.2.1.84 25
-
 assay at Pseudonocardia thermophila

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
4.2.1.84 7.5
-
 assay at Pseudonocardia thermophila

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
4.2.1.84 0.00000004
-
 phenylboronic acid pH 7.5, 25°C Pseudonocardia thermophila
4.2.1.84 0.0005
-
 1-butaneboronic acid pH 7.5, 25°C Pseudonocardia thermophila

General Information

EC Number General Information Comment Organism
4.2.1.84 additional information structural modeling, overview Pseudonocardia thermophila