Ncs-1 bound to a ligand

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 5% strand (DSSP).

Ligands and binding sites

• FKW · 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide · ligand · chains B
• CA · Calcium ion · metal · 6 copies · chains B, C
• NA · Sodium ion · metal · 2 copies · chains B, C
• 1PE · Pentaethylene glycol · additive · 5 copies · chains B, C
• P6G · Hexaethylene glycol · additive · 2 copies · chains B, C
• DMS · Dimethyl sulfoxide · additive · chains B
• ACT · Acetate ion · additive · chains B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• B–C · 289 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

• 6QI4 · NCS-1 bound to a ligand · the same entry in another collection · chain C against C, TM-score 1.00
• P62166 · AlphaFold monomer V2.0 prediction for neuronal calcium sensor 1 (P62166) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P62166
• Elsewhere: RCSB PDB 6QI4 · PDBe 6QI4 · UniProt P62166