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Literature summary for 4.2.1.84 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
Search for more literature for 4.2.1.84

Crystallization (Commentary)

Crystallization (Comment) Organism
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

Inhibitors Comment Organism Structure
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
additional information enzyme-boronic acid complexes represent a snapshot of reaction intermediates; enzyme-boronic acid complexes represent a snapshot of reaction intermediates Pseudonocardia thermophila
phenylboronic acid competitive inhibitor, binds to the enzyme active site; competitive inhibitor, binds to the enzyme active site Pseudonocardia thermophila

Metals/Ions

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

Organism

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

Reaction

Reaction Comment Organism Reaction ID
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)

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

Synonyms

Synonyms Comment Organism
NHase
-
 Pseudonocardia thermophila

Temperature Optimum [°C]

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

pH Optimum

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

Ki Value [mM]

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

General Information

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