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Ensemble refinement model

PDB 2X39|dpdb_xc42ko8j

Ensemble refinement model

Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
190,734
Residues
326
Protein chains
2
Alternate-location fraction
0%
Ligands
TPO, X39

Evaluations

R-work
0.161
R-free
0.214
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
RAC-BETA SERINE/THREONINE-PROTEIN KINASE342
  • ConstructKINASE CATALYTIC DOMAIN, RESIDUES 146-467
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
GLYCOGEN SYNTHASE KINASE-3 BETA10
  • ConstructRESIDUES 3-12

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations