Crystal structure of the E. COLI type 1 pilus subunit fimg (engineered variant with substitutions Q134E and S138E; N-terminal fimg residues 1-12 truncated) in complex with the donor strand peptide DSF_T4R-T6R- D13N

Structure

x-ray diffraction · 3 distinct chains · 3% helix, 56% strand (DSSP).

Ligands and binding sites

• CO · Cobalt (II) ion · metal · 5 copies · chains A, C
• EDO · 1,2-ethanediol · additive · chains A, B
• 1PE · Pentaethylene glycol · additive · chains C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• A–B · 1299 Ų buried · 43 hydrogen bonds · protein-protein
• C–D · 1252 Ų buried · 35 hydrogen bonds · protein-protein
• A–C · 614 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 131 Ų buried · 5 hydrogen bonds · protein-protein
• A–D · 130 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5IQO · Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with… · the same entry in another collection · chain D against D, TM-score 1.00
• P08190 · AlphaFold monomer V2.0 prediction for protein fimg (P08190) · a predicted model of the same protein · chain C against A, TM-score 0.99
• P08189 · AlphaFold monomer V2.0 prediction for protein fimf (P08189) · a predicted model of the same protein · chain D against A, TM-score 0.58

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 P08190
• Every structure of UniProt P08189
• Elsewhere: RCSB PDB 5IQO · PDBe 5IQO · UniProt P08190 · UniProt P08189