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Ensemble refinement model

PDB 2ZFF|dpdb_8jhngr4d

Ensemble refinement model

Exploring Thrombin S1-pocket

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
172,315
Residues
288
Protein chains
3
Alternate-location fraction
0%
Ligands
53U, NA, TYS

Evaluations

R-work
0.148
R-free
0.173
Clashscore
—

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