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Ensemble refinement model

PDB 3QTO|dpdb_3w950xh5

Ensemble refinement model

Thrombin Inhibition by Pyridin Derivatives

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
174,763
Residues
289
Protein chains
3
Alternate-location fraction
0%
Ligands
10P, GOL, NA, NAG, PO4, TYS

Evaluations

R-work
0.164
R-free
0.188
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Thrombin light chain36—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Thrombin heavy chain259—
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Hirudin variant-213
  • Hirudo medicinalis6421
  • Constructresidues in UNP 60-72

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations