Ensemble refinement model

PDB 2UUE|dpdb_rs47b8gg

Ensemble refinement model

REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
376,459
Residues
1,115
Protein chains
6
Alternate-location fraction
0%
Ligands
GVC, MTZ, NH2, PFF

Evaluations

R-work
0.173
R-free
0.223
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
CELL DIVISION PROTEIN KINASE 2298—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
CYCLIN A2259
  • ConstructRESIDUES 174-432
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
GVC-TETRAPEPTIDE INHIBITOR5——

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations