Structures of P. aeruginosa fpva bound to heterologous pyoverdines: fpva-PVD(PA6)-fe complex

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 55% strand (DSSP).

Ligands and binding sites

• N8E · 3,6,9,12,15-pentaoxatricosan-1-ol · ligand · 2 copies · chains A, B
• DSN · D-serine · ligand · chains B, C
• PVE · (1S)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium · ligand · chains B, C
• FE · Fe (III) ion · metal · chains B, C
• PO4 · Phosphate ion · ion · 10 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Interfaces

2 interfaces between chains.

• A–B · 651 Ų buried · 2 hydrogen bonds · protein-protein
• B–C · 462 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified, 1 covalent, 1 d-amino (nonstandard, covalent ligand, D-amino acid).

Compared structures

• 2W76 · Structures of P. aeruginosa FpvA bound to heterologous pyoverdines: FpvA-Pvd(Pa6)-Fe… · the same entry in another collection · chain A against A, TM-score 1.00
• P48632 · AlphaFold monomer V2.0 prediction for ferripyoverdine receptor (P48632) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P48632
• Elsewhere: RCSB PDB 2W76 · PDBe 2W76 · UniProt P48632