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Rerefined model

PDB 4LOY|dpdb_5kcy532o

Rerefined 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
PHENIX 2.0_5824
Model type
Multiconformer
Purpose
Refinement
Atoms
2,753
Residues
286
Protein chains
3
Alternate-location fraction
0%
Ligands
6XS, NA, NAG, TYS

Evaluations

R-work
0.158
R-free
0.203
Clashscore
9.1

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