Ensemble refinement model

PDB 5V24|dpdb_d1oj90i4

Ensemble refinement model

Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
210,949
Residues
512
Protein chains
2
Alternate-location fraction
0%
Ligand
8V7

Evaluations

R-work
0.224
R-free
0.286
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase kinase kinase 5271
  • ConstructUNP residues 670-940

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations