Ensemble refinement model

PDB 6EL5|dpdb_tbc83r1n

Ensemble refinement model

Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
88,840
Residues
208
Protein chains
1
Alternate-location fraction
0%
Ligand
PU1

Evaluations

R-work
0.191
R-free
0.223
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Heat shock protein HSP 90-alpha236—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations