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Ensemble refinement model

PDB 3UOU|dpdb_6mip1yhv

Ensemble refinement model

Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
123,896
Residues
294
Protein chains
2
Alternate-location fraction
0%
Ligands
GOL, SO4

Evaluations

R-work
0.146
R-free
0.199
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Chymotrypsin-like elastase family member 1240
  • ConstructPeptidase S1 domain
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Kunitz-type proteinase inhibitor SHPI-155
  • Stichodactyla helianthus6123
  • ConstructKunitz-type proteinase inhibitor SHPI-1
  • MutationK13L

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations