Deposited model

PDB 4YES|dpdb_dv3ifji9

Deposited model

Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium

Program
BUSTER-TNT 2.11.4
Model type
Deposited
Purpose
Reference
Authors
Orth, P.
Atoms
2,620
Residues
292
Protein chains
3
Unmodeled fraction
5.19%
Ligands
MG, NAG

Evaluations

R-work
0.209
R-free
0.234
Clashscore
3.4

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Thrombin light chain36—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Thrombin heavy chain259—
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Hirudin13
  • Hirudo medicinalis6421
  • ConstructUNP residues 54-65

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations