Ensemble refinement model

PDB 4CFN|dpdb_mfcm1lqh

Ensemble refinement model

Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
375,467
Residues
1,101
Protein chains
4
Alternate-location fraction
0%
Ligands
DTT, JYM, TPO

Evaluations

R-work
0.171
R-free
0.223
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
CYCLIN-DEPENDENT KINASE 2302—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
CYCLIN-A2258
  • ConstructCDK-ACTIVATING FRAGMENT, RESIDUES 175-432

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations