Ensemble refinement model

PDB 5NEY|dpdb_j9j3z6js

Ensemble refinement model

Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
371,083
Residues
463
Protein chains
5
Alternate-location fraction
0%
Ligands
CA, DLY, DTR, OXE, ZDC

Evaluations

R-work
0.164
R-free
0.200
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Fucose-binding lectin II (PA-IIL)114
  • Pseudomonas aeruginosa287
—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA12——

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations