Ensemble refinement model

PDB 5NF0|dpdb_r1d66ac1

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: 408,503

Residues: 472
Protein chains: 8
Alternate-location fraction: 0%
Ligands: CA, DCY, DLY, DTR, NH2, OXE, ZDC

Evaluations

R-work

0.146

R-free

0.167

Clashscore

—

Macromolecules

The same in every model of this entry.

Entity 1
Molecule	Chains	Length	Organism	UniProt	Details
Fucose-binding lectin II (PA-IIL)		114	Pseudomonas aeruginosa287	Q9HYN5SIFTS · 2026_03	—

Entity 2
Molecule	Chains	Length	Organism	UniProt	Details
CYD-TRP-TRD-LYS-LYD-LYS-LYD-LYS-TRD-TRP-CYD-GLY		12	synthetic construct32630	—	—

Entity 3
Molecule	Chains	Length	Organism	UniProt	Details
Fragment of ligand		5	synthetic construct32630	—	—

Data

L0 Raw

L1 Processed

L2 Models

L3 Evaluations