Ensemble refinement model

PDB 2ZDA|dpdb_oe54nt5g

Ensemble refinement model

Exploring Thrombin S1 pocket

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
129,723
Residues
290
Protein chains
3
Alternate-location fraction
0%
Ligands
32U, NA, PO4, TYS

Evaluations

R-work
0.163
R-free
0.205
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