Ensemble refinement model

PDB 5EXN|dpdb_bs1pmo68

Ensemble refinement model

FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
204,989
Residues
237
Protein chains
1
Alternate-location fraction
0%
Ligands
5SU, NAG

Evaluations

R-work
0.152
R-free
0.178
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor XIa light chain238
  • MutationC122S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations