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Ensemble refinement model

PDB 4UFE|dpdb_qo5pe34o

Ensemble refinement model

Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
263,039
Residues
289
Protein chains
3
Alternate-location fraction
0%
Ligands
3ZD, NA, NAG, PO4, TYS

Evaluations

R-work
0.161
R-free
0.202
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