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Ensemble refinement model

PDB 3VQH|dpdb_szamsrai

Ensemble refinement model

Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
219,525
Residues
364
Protein chains
2
Alternate-location fraction
0%
Ligands
IQB, MPD, SEP, TPO

Evaluations

R-work
0.147
R-free
0.194
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
cAMP-dependent protein kinase catalytic subunit alpha351—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
cAMP-dependent protein kinase inhibitor alpha20
  • ConstructUNP resodues 6-25

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations