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Ensemble refinement model

PDB 4ANB|dpdb_2nw6koje

Ensemble refinement model

Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
115,590
Residues
282
Protein chains
1
Alternate-location fraction
0%
Ligands
ACP, MG, YQY

Evaluations

R-work
0.196
R-free
0.242
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1301
  • ConstructPROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations