Ensemble refinement model

PDB 3QTV|dpdb_cm40x374

Ensemble refinement model

Thrombin Inhibition by Pyridin Derivatives

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
174,887
Residues
290
Protein chains
3
Alternate-location fraction
0%
Ligands
06P, GOL, NA, NAG, PO4, TYS

Evaluations

R-work
0.163
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