Ensemble refinement model

PDB 2VTA|dpdb_4v3ka7sj

Ensemble refinement model

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
93,630
Residues
278
Protein chains
1
Alternate-location fraction
0%
Ligands
GOL, LZ1

Evaluations

R-work
0.212
R-free
0.262
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
CELL DIVISION PROTEIN KINASE 2298—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations