Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds / deacetylase activity / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds / carbohydrate metabolic process / metal ion binding Similarity search - Function
SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 28528.395 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS ANTHRACIS (anthrax bacterium) / Strain: AMES / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 References: UniProt: Q81Z49, UniProt: A0A6H3ACS3*PLUS, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides
Mass: 18.015 Da / Num. of mol.: 179 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE FIRST 24 RESIDUES OF THE DEPOSITED SEQUENCE ARE PREDICTED TO CODE FOR A SIGNAL PEPTIDE WHICH ...THE FIRST 24 RESIDUES OF THE DEPOSITED SEQUENCE ARE PREDICTED TO CODE FOR A SIGNAL PEPTIDE WHICH WAS NOT INCLUDED IN THE CLONED SEQUENCE. THERE IS AN ADDITIONAL METHIONINE RESIDUE AT THE START OF THE CLONED SEQUENCE FROM THE EXPRESSION VECTOR.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.6 Å3/Da / Density % sol: 53 %
Crystal grow
pH: 6.5 Details: 0.1 M CACODYLATE, PH 6.5, 0.2 M ZINC ACETATE, 18% POLYETHYLENE GLYCOL 8K
Resolution: 1.7→30 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.933 / SU B: 3.804 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.12 / ESU R Free: 0.099 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 13-22, 174-187 AND 236-237 CANNOT BE OBSERVED IN THE ELECTRON DENSITY AND HENCE ARE MISSING FROM THE MODEL.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23
1697
5.1 %
RANDOM
Rwork
0.186
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obs
0.188
31740
99.2 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK