Solution NMR structure of EB1 C terminus (191-260) with a small molecule bound into the sxip binding site

Structure

solution nmr · 1 distinct chain · 70% helix, 0% strand (DSSP).

Ligands and binding sites

• C05 · (2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl) sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide · ligand · 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

1 interface between chains.

• A–B · 1495 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

• 6EVQ · solution NMR structure of EB1 C terminus (191-260) with a small molecule bound into the… · the same entry in another collection · chain A against A, TM-score 1.00
• Q61166 · AlphaFold monomer V2.0 prediction for microtubule-associated protein RP/EB family member… · a predicted model of the same protein · chain A against A, TM-score 0.76

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 Q61166
• Elsewhere: RCSB PDB 6EVQ · PDBe 6EVQ · UniProt Q61166