Ensemble refinement model

PDB 2ZDV|dpdb_768oceu1

Ensemble refinement model

Exploring Thrombin S1 pocket

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
170,343
Residues
288
Protein chains
3
Alternate-location fraction
0%
Ligands
37U, NA, PO4, TYS

Evaluations

R-work
0.180
R-free
0.216
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