Ensemble refinement model

PDB 4YES|dpdb_dv3ifji9

Ensemble refinement model

Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
172,496
Residues
291
Protein chains
3
Alternate-location fraction
0%
Ligands
45S, GOL, MG, NAG, TYS

Evaluations

R-work
0.179
R-free
0.213
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
Hirudin13
  • Hirudo medicinalis6421
  • ConstructUNP residues 54-65

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations