Ensemble refinement model

PDB 4UFD|dpdb_73ksrnol

Ensemble refinement model

Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
171,528
Residues
281
Protein chains
3
Alternate-location fraction
0%
Ligands
GOL, NA, NAG, PO4, S49, TYS

Evaluations

R-work
0.152
R-free
0.170
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