Ensemble refinement model

PDB 4Y8X|dpdb_g244ocry

Ensemble refinement model

Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
84,045
Residues
238
Protein chains
1
Alternate-location fraction
0%
Ligands
4GR, EDO, SO4

Evaluations

R-work
0.147
R-free
0.166
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor XIa244
  • Constructlight chain (UNP residues 388-625)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations