Ensemble refinement model

PDB 4WRH|dpdb_40ums6vh

Ensemble refinement model

AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
188,047
Residues
316
Protein chains
1
Alternate-location fraction
0%
Ligands
EDO, NAP, YY1, YY2

Evaluations

R-work
0.150
R-free
0.173
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Aldo-keto reductase family 1 member C3331—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations