Ensemble refinement model

PDB 6EYB|dpdb_qxuztc3b

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
117,739
Residues
207
Protein chains
1
Alternate-location fraction
0%
Ligands
C3Z, SO4

Evaluations

R-work
0.181
R-free
0.229
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