- PDB-4cqd: The reaction mechanism of the N-isopropylammelide isopropylaminoh... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4cqd
Title
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
Components
N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE
Keywords
HYDROLASE / ATRAZINE BREAKDOWN
Function / homology
Function and homology information
N-isopropylammelide isopropylaminohydrolase / N-isopropylammelide isopropylaminohydrolase activity / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines / atrazine catabolic process / metal ion binding / cytoplasm Similarity search - Function
Mass: 18.015 Da / Num. of mol.: 227 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
N-TERMINAL HIS TAG AND ONE MUTATION AT POSITION 249
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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: 2.86 Å3/Da / Density % sol: 57 % / Description: NONE
Crystal grow
pH: 7.8 Details: 3.5 MG/ML PROTEIN OVER A RESERVOIR OF 2.5 M MALONATE PH 6.0, 10% (V/V) MALATE/MES/TRIS BUFFER AT PH 7.8; DROPS WERE 150 NL PROTEIN, 120 NL RESERVOIR AND 30 NL SEEDS FROM THE NATIVE CRYSTALS.
Resolution: 2.25→43.57 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.945 / SU B: 4.813 / SU ML: 0.117 / Cross valid method: THROUGHOUT / ESU R: 0.232 / ESU R Free: 0.172 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19434
2421
5.1 %
RANDOM
Rwork
0.16626
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obs
0.16768
45047
99.16 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK