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Deposited model

PDB 2ZDA|dpdb_oe54nt5g

Deposited model

Exploring Thrombin S1 pocket

Program
SHELXL-97
Model type
Deposited
Purpose
Reference
Authors
Baum, B., Heine, A., Klebe, G.
Atoms
2,683
Residues
291
Protein chains
3
Unmodeled fraction
4.9%

Evaluations

R-work
0.172
R-free
0.228
Clashscore
6.3

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Thrombin Light Chain36—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Thrombin Heavy Chain259—
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Hirudin variant-111
  • Hirudo medicinalis6421
  • ConstructUNP Residues 54-64

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations