qFit model

PDB 6YPP|dpdb_6ww8rrk6

qFit model

Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
4,082
Residues
341
Protein chains
2
Alternate-location fraction
26.98%
Ligands
ISQ, SEP, TPO

Evaluations

R-work
0.179
R-free
0.216
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
cAMP-dependent protein kinase catalytic subunit alpha353—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
cAMP-dependent protein kinase inhibitor alpha20—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations