Ensemble refinement model

PDB 6BL8|dpdb_pbkenz1y

Ensemble refinement model

Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
183,093
Residues
538
Protein chains
2
Alternate-location fraction
0%
Ligands
PVB, SO4

Evaluations

R-work
0.173
R-free
0.220
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase ABL1272
  • ConstructUNP residues 233-504

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations