Ensemble refinement model

PDB 6XIH|dpdb_y0chbzcl

Ensemble refinement model

Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
143,461
Residues
514
Protein chains
2
Alternate-location fraction
0%
Ligand
V3S

Evaluations

R-work
0.221
R-free
0.272
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase kinase kinase 5295—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations