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Ensemble refinement model

PDB 4TY6|dpdb_vh95nmvk

Ensemble refinement model

Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
144,621
Residues
245
Protein chains
2
Alternate-location fraction
0%
Ligands
39D, EDO, SO4

Evaluations

R-work
0.154
R-free
0.192
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor XI244
  • ConstructLight chain (UNP Residues 388-625)
  • MutationsT113G N115G
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
CYS-THR-THR-LYS-ILE-LYS-PRO18
  • ConstructHeavy chain (UNP Residues 357-369)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations