Ensemble refinement model

PDB 3D2I|dpdb_mm253alw

Ensemble refinement model

Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
53,810
Residues
255
Protein chains
1
Alternate-location fraction
0%
Ligand
AK3

Evaluations

R-work
0.194
R-free
0.258
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
serine/threonine kinase 6272
  • ConstructAurora A kinase domain, UNP residues 116-382
  • MutationsN186G K240R M302L

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations