Ensemble refinement model

PDB 6GBW|dpdb_rh44moyw

Ensemble refinement model

Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide)

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
174,591
Residues
288
Protein chains
3
Alternate-location fraction
0%
Ligands
DMS, EU5, NA, NAG, TYS

Evaluations

R-work
0.177
R-free
0.212
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Prothrombin36—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Prothrombin259—
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Hirudin variant-212
  • Hirudo medicinalis6421
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations