Ensemble refinement model

PDB 4UFG|dpdb_3oxyvme3

Ensemble refinement model

Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
263,714
Residues
290
Protein chains
3
Alternate-location fraction
0%
Ligands
D6J, NA, NAG, PO4, TYS

Evaluations

R-work
0.157
R-free
0.189
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN HEAVY CHAIN258
  • ConstructRESIDUES 364-621
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
HIRUDIN VARIANT-212
  • Hirudo medicinalis6421
  • ConstructRESIDUES 61-72
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN LIGHT CHAIN29
  • ConstructRESIDUES 333-361

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations