Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of streptococcus pyogenes sfbi-5

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 58% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains A, C, B, D
• NH2 · Amino group · ion · 2 copies · chains A, C, D
• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 2 copies · chains A, B

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

3 interfaces between chains.

• A–C · 1057 Ų buried · 28 hydrogen bonds · protein-protein
• B–D · 1039 Ų buried · 30 hydrogen bonds · protein-protein
• A–B · 368 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 3ZRZ · Crystal structure of the second and third fibronectin F1 modules in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P02751 · AlphaFold monomer V2.0 prediction for fibronectin (P02751) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 P02751
• Every structure of UniProt Q01924
• Elsewhere: RCSB PDB 3ZRZ · PDBe 3ZRZ · UniProt P02751 · UniProt Q01924