Literature summary extracted from
Nango, E.; Kumasaka, T.; Hirayama, T.; Tanaka, N.; Eguchi, T.
Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+ (2008), Proteins, 70, 517-527.
Crystallization (Commentary)
EC Number |
Crystallization (Comment) |
Organism |
---|
4.2.3.124 |
purified free enzyme and enzyme in complex with substrate analogue inhibitor carbaglucose 6-phosphate, and with NAD+, and Co2+, hanging drop vapour diffusion method, mixing of 0.002 ml pf 4.2 mg/ml protein in 5 mM Tris-HCl, pH 7.7, and 0.2 mM CoCl2, with 0.002 ml of reservoir solution containing 40% w/v PEG 4000, 200 mM Li2SO4, and 100 mM Tris-HCl, pH 8.6, equilibration against 1 ml of reservoir solution, addition of 1 mM Co2+ and 1 mM inhibitor, 4°C, X-ray diffraction structure determination and analysis at 2.15-2.3 A resoltuion, heavy atom derivatization |
Niallia circulans |
Inhibitors
EC Number |
Inhibitors |
Comment |
Organism |
Structure |
---|
4.2.3.124 |
carbaglucose-6-phosphate |
a substrate analogue inhibitor, binding structure, overview. The inhibitor coordinates a cobalt ion in the active site |
Niallia circulans |
|
Metals/Ions
EC Number |
Metals/Ions |
Comment |
Organism |
Structure |
---|
4.2.3.124 |
Co2+ |
required |
Niallia circulans |
|
Natural Substrates/ Products (Substrates)
EC Number |
Natural Substrates |
Organism |
Comment (Nat. Sub.) |
Natural Products |
Comment (Nat. Pro.) |
Rev. |
Reac. |
---|
4.2.3.124 |
D-glucose 6-phosphate |
Niallia circulans |
multistep reaction |
2-deoxy-L-scyllo-inosose + phosphate |
- |
? |
|
4.2.3.124 |
D-glucose 6-phosphate |
Niallia circulans SANK72073 |
multistep reaction |
2-deoxy-L-scyllo-inosose + phosphate |
- |
? |
|
Organism
EC Number |
Organism |
UniProt |
Comment |
Textmining |
---|
4.2.3.124 |
Niallia circulans |
Q9S5E2 |
gene btrC |
- |
4.2.3.124 |
Niallia circulans SANK72073 |
Q9S5E2 |
gene btrC |
- |
Reaction
EC Number |
Reaction |
Comment |
Organism |
Reaction ID |
---|
4.2.3.124 |
D-glucose 6-phosphate = 2-deoxy-L-scyllo-inosose + phosphate |
reaction mechanism of the multistep reaction, stereochemistry of the phosphate elimination reaction, proceeding through syn-elimination assisted by Glu 243, and the cyclization, an aldol condensation that proceeds via a boat conformation, overview |
Niallia circulans |
|
Substrates and Products (Substrate)
EC Number |
Substrates |
Comment Substrates |
Organism |
Products |
Comment (Products) |
Rev. |
Reac. |
---|
4.2.3.124 |
D-glucose 6-phosphate |
multistep reaction |
Niallia circulans |
2-deoxy-L-scyllo-inosose + phosphate |
- |
? |
|
4.2.3.124 |
D-glucose 6-phosphate |
multistep reaction |
Niallia circulans SANK72073 |
2-deoxy-L-scyllo-inosose + phosphate |
- |
? |
|
Subunits
EC Number |
Subunits |
Comment |
Organism |
---|
4.2.3.124 |
dimer |
two subunits exist as a dimer in the asymmetric unit. The two active sites of the dimer are different. One contains a dephosphorylated compound derived from the inhibitor and the other includes the inhibitor without change |
Niallia circulans |
Synonyms
EC Number |
Synonyms |
Comment |
Organism |
---|
4.2.3.124 |
btrC |
- |
Niallia circulans |
4.2.3.124 |
DOIS |
- |
Niallia circulans |
Cofactor
EC Number |
Cofactor |
Comment |
Organism |
Structure |
---|
4.2.3.124 |
NAD+ |
required, binding strutcure in presence of inhibitor carbaglucose 6-phosphate |
Niallia circulans |
|
General Information
EC Number |
General Information |
Comment |
Organism |
---|
4.2.3.124 |
metabolism |
key enzyme in the biosynthesis of clinically important aminoglycoside antibiotics is 2-deoxy-scyllo-inosose synthase, which catalyzes carbocycle formation from D-glucose 6-phosphate to 2-deoxy-scyllo-inosose through a multistep reaction |
Niallia circulans |
4.2.3.124 |
additional information |
active site structure is located between the N-terminal and C-terminal domains. Two subunits exist as a dimer in the asymmetric unit. The two active sites of the dimer are different. One contains a dephosphorylated compound derived from the inhibitor and the other includes the inhibitor without change. Comparison of active site between the native and complex BtrC, overview |
Niallia circulans |