Deposited model

PDB 4LOY|dpdb_5kcy532o

Deposited model

Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)

Program
BUSTER-TNT BUSTER 2.11.5
Model type
Deposited
Purpose
Reference
Authors
Stehlin-Gaon, C., Bocskei, Z.
Atoms
2,693
Residues
287
Protein chains
3
Unmodeled fraction
2.38%
Ligands
NA, NAG

Evaluations

R-work
0.177
R-free
0.208
Clashscore
2.3

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Thrombin heavy chain257
  • Constructunp residues 364-620
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Hirudin variant-210
  • Hirudo medicinalis6421
  • Constructunp residues 62-71
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Thrombin light chain27
  • Constructunp residues 334-360

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations