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Ensemble refinement model

PDB 1W7G|dpdb_qaiz1o3x

Ensemble refinement model

Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
172,043
Residues
289
Protein chains
3
Alternate-location fraction
0%
Ligand
MIU

Evaluations

R-work
0.169
R-free
0.216
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN259
  • ConstructTHROMBIN HEAVY CHAIN
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
HIRUDIN I12
  • Hirudo medicinalis6421
  • ConstructSULFATED, RESIDUES 60 TO 71
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN36
  • ConstructTHROMBIN LIGHT CHAIN

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations