Literature summary for 3.3.2.1 extracted from

Du, J.; Deng, T.; Ma, Q.
Crystal structures of the isochorismatase domains from Vibrio anguillarum (2017), Biochem. Biophys. Res. Commun., 490, 827-833 .

Cloned(Commentary)

Cloned (Comment)	Organism
gene angB-ISC encoding residues 1-216, recombinant expression of N-terminally His6-tagged enzyme in Escherichia coli strain BL21(DE3)	Vibrio anguillarum
gene vabB-ISC encoding residues 1-217, recombinant expression of N-terminally His6-tagged enzyme in Escherichia coli strain BL21(DE3)	Vibrio anguillarum

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant detagged AngB-ISC, sitting drop vapor diffusion, mixing of 18 mg/ml protein in 10 mM HEPES, pH 7.5, 500 mM NaCl, and 1 mM DTT, with reservoir solution containing 0.1 M Tris-HCl, pH 8.5, 2 M Li2SO4, and 2% PEG 400, at 20°C, X-ray diffraction structure determination and analysis, molecular replacement using structure VibB-ISC (PDB ID 3TB4) as the searching model, with two monomers in an asymmetric unit	Vibrio anguillarum
purified recombinant detagged VabB-ISC, sitting drop vapor diffusion, mixing of 18 mg/ml protein in 10 mM HEPES, pH 7.5, 150 mM NaCl, and 1 mM DTT, with reservoir solution containing 10% PEG 8000, 0.1 M imidazole, and 0.2 M calcium acetate, at 20°C, X-ray diffraction structure determination and analysis, molecular replacement using the AngB-ISC dimer as search model	Vibrio anguillarum

Crystallization (Comment)

Organism

purified recombinant detagged AngB-ISC, sitting drop vapor diffusion, mixing of 18 mg/ml protein in 10 mM HEPES, pH 7.5, 500 mM NaCl, and 1 mM DTT, with reservoir solution containing 0.1 M Tris-HCl, pH 8.5, 2 M Li2SO4, and 2% PEG 400, at 20°C, X-ray diffraction structure determination and analysis, molecular replacement using structure VibB-ISC (PDB ID 3TB4) as the searching model, with two monomers in an asymmetric unit

Vibrio anguillarum

purified recombinant detagged VabB-ISC, sitting drop vapor diffusion, mixing of 18 mg/ml protein in 10 mM HEPES, pH 7.5, 150 mM NaCl, and 1 mM DTT, with reservoir solution containing 10% PEG 8000, 0.1 M imidazole, and 0.2 M calcium acetate, at 20°C, X-ray diffraction structure determination and analysis, molecular replacement using the AngB-ISC dimer as search model

Vibrio anguillarum

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	structure-based design of virulence inhibitors against Vibrio anguillarum, overview. The isochorismatase family can bind endogenous metabolite during the hetero-expression process, which is likely nicotinic acid, nicotinamide or pyrazinic acid, based on structural analysis and affinity prediction; structure-based design of virulence inhibitors against Vibrio anguillarum, overview. The isochorismatase family can bind endogenous metabolite during the hetero-expression process, which is likely nicotinic acid, nicotinamide or pyrazinic acid, based on structural analysis and affinity prediction	Vibrio anguillarum

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.
isochorismate + H2O	Vibrio anguillarum	-	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?
isochorismate + H2O	Vibrio anguillarum 775	-	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?
isochorismate + H2O	Vibrio anguillarum ATCC 68554	-	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?

Organism

Organism	UniProt	Comment	Textmining
Vibrio anguillarum	Q5DK16	i.e. Listonella anguillarum	-
Vibrio anguillarum	Q6W4P9	i.e. Listonella anguillarum	-
Vibrio anguillarum 775	Q5DK16	i.e. Listonella anguillarum	-
Vibrio anguillarum 775	Q6W4P9	i.e. Listonella anguillarum	-
Vibrio anguillarum ATCC 68554	Q5DK16	i.e. Listonella anguillarum	-
Vibrio anguillarum ATCC 68554	Q6W4P9	i.e. Listonella anguillarum	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant N-terminally His6-tagged AngB-ISC encoding residues 1-216 from Escherichia coli strain BL21(DE3) by nickel affinity chromatography, tag cleavage by TEV protease, another step of nickel affinity chromatography, and gel filtration	Vibrio anguillarum
recombinant N-terminally His6-tagged VabB-ISC encoding residues 1-217 from Escherichia coli strain BL21(DE3) by nickel affinity chromatography, tag cleavage by TEV protease, another step of nickel affinity chromatography, and gel filtration	Vibrio anguillarum

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
isochorismate + H2O	-	Vibrio anguillarum	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?
isochorismate + H2O	-	Vibrio anguillarum 775	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?
isochorismate + H2O	-	Vibrio anguillarum ATCC 68554	(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate	-	?

Subunits

Subunits	Comment	Organism
hexamer	six polypeptide chains are located in one asymmetric unit and appear to form hexamer, a trimer of dimers, for each monomer, the helix-sheet-helix sandwich architecture is determined	Vibrio anguillarum
homodimer	intersubunit interaction analysis	Vibrio anguillarum

Synonyms

Synonyms	Comment	Organism
AngB	-	Vibrio anguillarum
AngB-ISC	-	Vibrio anguillarum
ISC	-	Vibrio anguillarum
isochorismate lyase	-	Vibrio anguillarum
VabB	-	Vibrio anguillarum
VabB-ISC	-	Vibrio anguillarum

General Information

General Information	Comment	Organism
additional information	isochorismatase domains of AngB and VabB from Vibrio anguillarum, which are required to synthesize the critical virulence factor siderophore, are highly similar to known isochorismatases in fold and active site. Active site structure analysis, overview	Vibrio anguillarum
physiological function	isochorismatase (ISC) converts isochorismate to (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate, which is a critical step for the siderophore synthesis. Two different siderophores, anguibactin and vanchrobactin, are described in Vibrio anguillarum, both siderophores belong to the catecholate group, sharing a 2,3-dihydroxybenzoic acid (DHBA) moiety	Vibrio anguillarum