Ensemble refinement model

PDB 2ZFQ|dpdb_asm5eot7

Ensemble refinement model

Exploring thrombin S3 pocket

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
169,516
Residues
287
Protein chains
3
Alternate-location fraction
0%
Ligands
45U, BEN, GOL, NA, TYS

Evaluations

R-work
0.164
R-free
0.209
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
Hirudin12
  • Hirudo medicinalis6421
  • ConstructResidues 53-64

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations