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Ensemble refinement model

PDB 7KAC|dpdb_i4cjtmvp

Ensemble refinement model

Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}-5-(1,3,4-OXADIAZOL-2-YL)PYRIMIDIN-2-YL]AMINO}-3,3-DIMETHYL-2-BENZOFURAN-1(3H)-ONE

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
231,086
Residues
571
Protein chains
2
Alternate-location fraction
0%
Ligand
W9D

Evaluations

R-work
0.181
R-free
0.229
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1340
  • ConstructPROTEIN KINASE DOMAIN: RESIDUES 1-319
  • MutationsL242D F246E

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations