Ensemble refinement model

PDB 7RT2|dpdb_xg9qepmo

Ensemble refinement model

Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
101,830
Residues
169
Protein chains
1
Alternate-location fraction
0%
Ligands
7NL, EDO, GDP, GOL, MG

Evaluations

R-work
0.161
R-free
0.183
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Isoform 2B of GTPase KRas170
  • MutationsG12D C51S C80L C118S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations