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show all sequences of 3.5.1.B15

Molecular dynamics simulations suggest ligands binding to nicotinamidase/pyrazinamidase

Zhang, J.L.; Zheng, Q.C.; Li, Z.Q.; Zhang, H.X.; PLoS ONE 7, e39546 (2012)

Data extracted from this reference:

Crystallization (Commentary)
Crystallization
Organism
crystal structure (PDB ID 2WT9) analysis, and modeling of substrate binding and unbinding, overview
Acinetobacter baumannii
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
nicotinamide + H2O
Acinetobacter baumannii
-
nicotinate + NH3
-
-
?
pyrazinamide + H2O
Acinetobacter baumannii
-
pyrazinoic acid + NH3
-
-
?
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Acinetobacter baumannii
B0VA03
gene pncA
-
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
nicotinamide + H2O
-
735054
Acinetobacter baumannii
nicotinate + NH3
-
-
-
?
nicotinamide + H2O
binding structure involving residues A155, C159, and Ile154, and unbinding mechanism, modeling, overview
735054
Acinetobacter baumannii
nicotinate + NH3
-
-
-
?
pyrazinamide + H2O
-
735054
Acinetobacter baumannii
pyrazinoic acid + NH3
-
-
-
?
Crystallization (Commentary) (protein specific)
Crystallization
Organism
crystal structure (PDB ID 2WT9) analysis, and modeling of substrate binding and unbinding, overview
Acinetobacter baumannii
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
nicotinamide + H2O
Acinetobacter baumannii
-
nicotinate + NH3
-
-
?
pyrazinamide + H2O
Acinetobacter baumannii
-
pyrazinoic acid + NH3
-
-
?
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
nicotinamide + H2O
-
735054
Acinetobacter baumannii
nicotinate + NH3
-
-
-
?
nicotinamide + H2O
binding structure involving residues A155, C159, and Ile154, and unbinding mechanism, modeling, overview
735054
Acinetobacter baumannii
nicotinate + NH3
-
-
-
?
pyrazinamide + H2O
-
735054
Acinetobacter baumannii
pyrazinoic acid + NH3
-
-
-
?
General Information
General Information
Commentary
Organism
additional information
protein conformational changes after ligand dissociation, molecular dynamics simulation methods are performed to investigate the unbinding process of nicotinamide using the enzyme's crystal structure. PDB ID 2WT9
Acinetobacter baumannii
General Information (protein specific)
General Information
Commentary
Organism
additional information
protein conformational changes after ligand dissociation, molecular dynamics simulation methods are performed to investigate the unbinding process of nicotinamide using the enzyme's crystal structure. PDB ID 2WT9
Acinetobacter baumannii
Other publictions for EC 3.5.1.B15
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [°C]
Temperature Range [°C]
Temperature Stability [°C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [°C] (protein specific)
Temperature Range [°C] (protein specific)
Temperature Stability [°C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
727053
Stekhanova
Nicotinamidase from the thermo ...
Acidilobus saccharovorans
Biochemistry
79
54-61
2014
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-
1
-
-
-
1
1
-
1
1
-
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1
-
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2
1
1
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2
1
1
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1
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2
1
1
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2
1
1
-
-
-
-
-
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-
1
1
735324
Rueda
Nicotinamidase/pyrazinamidase ...
Mycobacterium tuberculosis, Mycobacterium tuberculosis H37Rv
Tuberculosis
94
644-648
2014
-
-
1
-
-
-
-
-
-
-
1
4
-
2
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1
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4
2
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1
4
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1
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4
2
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-
-
-
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1
1
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-
735054
Zhang
Molecular dynamics simulations ...
Acinetobacter baumannii
PLoS ONE
7
e39546
2012
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1
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2
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3
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1
1
-
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710862
Fyfe
Specificity and mechanism of A ...
Acinetobacter baumannii
Angew. Chem. Int. Ed. Engl.
48
9176-9179
2009
-
-
-
-
-
-
-
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4
1
1
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1
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1
1
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4
1
1
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1
1
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2
2
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744296
Du
Crystal structure and mechani ...
Pyrococcus horikoshii, Pyrococcus horikoshii OT-3
Biochemistry
40
14166-14172
2001
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1
1
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1
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6
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1
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3
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