Ensemble refinement model

PDB 5MM6|dpdb_pufuw4yp

Ensemble refinement model

Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
260,863
Residues
289
Protein chains
3
Alternate-location fraction
0%
Ligands
32U, DMS, GOL, NA, PO4, TYS

Evaluations

R-work
0.147
R-free
0.162
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-212
  • Hirudo medicinalis6421
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations