Ensemble refinement model

PDB 6ELP|dpdb_yaxs8sy5

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
52,750
Residues
207
Protein chains
1
Alternate-location fraction
0%
Ligand
BA8

Evaluations

R-work
0.157
R-free
0.190
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