Ensemble refinement model

PDB 5MLS|dpdb_xwyyh908

Ensemble refinement model

Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
130,714
Residues
288
Protein chains
3
Alternate-location fraction
0%
Ligands
22U, DMS, GOL, NA, PO4, TYS

Evaluations

R-work
0.166
R-free
0.200
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