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Ensemble refinement model

PDB 1SB1|dpdb_smizysyu

Ensemble refinement model

Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
257,070
Residues
287
Protein chains
3
Alternate-location fraction
0%
Ligands
165, NA, TYS

Evaluations

R-work
0.162
R-free
0.196
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Prothrombin29
  • Constructlight chain, residues 333-361
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Prothrombin258
  • Constructheavy chain, residues 364-621
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
hirugen9
  • Hirudo medicinalis6421
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations