Ensemble refinement model

PDB 4MNV|dpdb_ripaso38

Ensemble refinement model

Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA)

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
85,087
Residues
258
Protein chains
3
Alternate-location fraction
0%
Ligands
ACT, GOL, NH2, SO4, ZBR

Evaluations

R-work
0.164
R-free
0.210
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Urokinase-type plasminogen activator chain B245
  • Constructcatalytic domain (UNP residues 179-423)
  • MutationsC122A N145Q
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
acyl-enzyme intermediate of bicyclic peptide UK72910——
  • Constructfragment 1
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
acyl-enzyme intermediate of bicyclic peptide UK7294——
  • Constructfragment 2

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations