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Ligand 3,3-difluoroxaloacetate

Basic Ligand Information

Molecular Structure

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Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (2 results)

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Show Substrate (2 entries)

EC NUMBER

REACTION

REACTION DIAGRAM

LITERATURE

ENZYME 3D STRUCTURE

4.1.3.32

3,3-difluorooxaloacetate = ?

748428

-

4.1.3.32

3,3-difluoroxaloacetate = ?

693684

-

4.1.3.32

2 entries

Inhibitor in Enzyme-catalyzed Reactions (5 results)

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Show Inhibitors (5 entries)

EC NUMBER

COMMENTARY

LITERATURE

ENZYME 3D STRUCTURE

3.7.1.1

a mechanism-based inhibitor that binds in a gem-diol form analogous to the oxalacetate intermediate/transition state, binding structure, overview

719879

-

3.7.1.1

-

687682

-

3.7.1.1

tight binding competitive inhibitor

693684

-

3.7.1.1

3 entries

4.1.1.112

-

678331

-

4.1.3.32

tight binding competitive inhibitor

693684

-

Enzyme Kinetic Parameters

k_cat Value (Turnover Number) (2 results)

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Show Turnover Number (2 entries)

EC NUMBER

TURNOVER NUMBER [1/S]

TURNOVER NUMBER MAXIMUM [1/S]

COMMENTARY

LITERATURE

4.1.3.32

0.00001

-

kcat less than 0.00001 sec-1, pH and temperature not specified in the publication

748428

4.1.3.32

0.00001

-

smaller than 0.00001 s-1

693684

4.1.3.32

2 entries

K_i Value (6 results)

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Show KI Value (6 entries)

EC NUMBER

KI VALUE [MM]

KI VALUE MAXIMUM [MM]

COMMENTARY

LITERATURE

3.7.1.1

0.000068

-

-

687682

3.7.1.1

0.0025

-

in 50 mM K+-HEPES (pH 7.5 and 25°C)

693684

3.7.1.1

2 entries

4.1.1.112

0.45

-

-

678331

4.1.3.32

0.0025

-

-

693684

4.1.3.32

0.0025

-

in 50 mM K+-HEPES (pH 7.5 and 25°C)

693684

4.1.3.32

2.5

-

-

693684

4.1.3.32

3 entries

References & Links

Literature References (6)

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Show Reference (6 entries)

BRENDA REFERENCE ID

PUBMED ID

TITLE

YEAR

AUTHORS

JOURNAL

VOLUME

PAGES

678331

18081320

Structure and function of PA4872 from Pseudomonas aeruginosa, a novel class of oxaloacetate decarboxylase from the PEP mutase/isocitrate lyase superfamily

2008

Narayanan, B.C.; Niu, W.; Han, Y.; Zou, J.; Mariano, P.S.; Dunaway-Mariano, D.; Herzberg, O.

Biochemistry

47

167-182

687682

17244616

Oxaloacetate hydrolase, the C-C bond lyase of oxalate secreting fungi

2007

Han, Y.; Joosten, H.J.; Niu, W.; Zhao, Z.; Mariano, P.S.; McCalman, M.; van Kan, J.; Schaap, P.J.; Dunaway-Mariano, D.

J. Biol. Chem.

282

9581-9590

693684

19133276

Structure and function of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member

2009

Narayanan, B.; Niu, W.; Joosten, H.J.; Li, Z.; Kuipers, R.K.; Schaap, P.J.; Dunaway-Mariano, D.; Herzberg, O.

J. Mol. Biol.

386

486-503

719879

20558740

Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus

2010

Chen, C.; Sun, Q.; Narayanan, B.; Nuss, D.L.; Herzberg, O.

J. Biol. Chem.

285

26685-26696

748428

27343740

QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase A catabolic protein isolated from Aspergillus niger

2016

Chotpatiwetchkul, W.; Jongkon, N.; Hannongbua, S.; Gleeson, M.P.

J. Mol. Graph. Model.

68

29-38

748428

27343740

QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase A catabolic protein isolated from Aspergillus niger

2016

Chotpatiwetchkul, W.; Jongkon, N.; Hannongbua, S.; Gleeson, M.P.

J. Mol. Graph. Model.

68

29-38

748428

2 entries

Links to other databases for 3,3-difluoroxaloacetate

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Show Links (1 entry)