- PDB-2y4n: PaaK1 in complex with phenylacetyl adenylate -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 2y4n
Title
PaaK1 in complex with phenylacetyl adenylate
Components
PHENYLACETATE-COENZYME A LIGASE
Keywords
LIGASE / PHENYLACETIC ACID DEGRADATION PATHWAY
Function / homology
Function and homology information
phenylacetate-CoA ligase / phenylacetate-CoA ligase activity / phenylacetate catabolic process / ATP binding / metal ion binding Similarity search - Function
Journal: J.Biol.Chem. / Year: 2011 Title: Defining a Structural and Kinetic Rationale for Paralogous Copies of Phenylacetate-Coa Ligases from the Cystic Fibrosis Pathogen Burkholderia Cenocepacia J2315. Authors: Law, A. / Boulanger, M.J.
Resolution: 1.92→27.01 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.94 / SU B: 3.864 / SU ML: 0.111 / Cross valid method: THROUGHOUT / ESU R: 0.164 / ESU R Free: 0.156 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23192
3457
5 %
RANDOM
Rwork
0.18057
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obs
0.1832
65292
93.84 %
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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: MASK