Ensemble refinement model

PDB 2VTJ|dpdb_pspq7s9u

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
116,810
Residues
276
Protein chains
1
Alternate-location fraction
0%
Ligands
GOL, LZ4

Evaluations

R-work
0.171
R-free
0.232
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