Deposited model

PDB 4UFG|dpdb_3oxyvme3

Deposited 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 (PHENIX.REFINE)
Model type
Deposited
Purpose
Reference
Authors
Ruehmann, E., Heine, A., Klebe, G.
Atoms
2,672
Residues
291
Protein chains
3
Unmodeled fraction
2.68%
Ligands
NA, NAG

Evaluations

R-work
0.162
R-free
0.186
Clashscore
2.9

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