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Ensemble refinement model

PDB 3VXE|dpdb_efyuav99

Ensemble refinement model

Human alpha-thrombin-Bivalirudin complex at PD5.0

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
267,975
Residues
296
Protein chains
4
Alternate-location fraction
0%
Ligands
DPN, NAG

Evaluations

R-work
0.135
R-free
0.148
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
BIVALIRUDIN17
  • Hirudo medicinalis6421
  • ConstructC-TERMINAL FRAGMENT
Entity 4
MoleculeChainsLengthOrganismUniProtDetails
BIVALIRUDIN3——
  • ConstructN-TERMINAL FRAGMENT

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations