Ensemble refinement model

PDB 4EST|dpdb_4ksotqke

Ensemble refinement model

CRYSTAL STRUCTURE OF THE COVALENT COMPLEX FORMED BY A PEPTIDYL ALPHA,ALPHA-DIFLUORO-BETA-KETO AMIDE WITH PORCINE PANCREATIC ELASTASE AT 1.78-ANGSTROMS RESOLUTION

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
97,274
Residues
242
Protein chains
2
Alternate-location fraction
0%
Ligands
ACE, CA, FPA, PEA, SO4, VAI

Evaluations

R-work
0.141
R-free
0.183
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
ELASTASE240—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
INHIBITOR ACE-ALA-PRO-VAI-DIFLUORO-N-PHENYLETHYLACETAMIDE6———

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations