CA2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin iia

Structure

x-ray diffraction · 3 distinct chains · 62% helix, 3% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · 4 copies · chains A, B
• AZI · Azide ion · ion · 2 copies · chains A, B, Q
• ACT · Acetate ion · additive · 2 copies · chains A, Q

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–B · 1518 Ų buried · 14 hydrogen bonds · protein-protein
• A–Q · 1112 Ų buried · 18 hydrogen bonds · protein-protein
• B–Q · 1083 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 3ZWH · Ca2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin IIA · the same entry in another collection · chain A against A, TM-score 1.00
• P26447 · AlphaFold monomer V2.0 prediction for protein S100-A4 (P26447) · a predicted model of the same protein · chain A against A, TM-score 0.91
• P35579 · AlphaFold monomer V2.0 prediction for myosin-9 (P35579) · a predicted model of the same protein · chain Q against A, TM-score 0.51

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 P26447
• Every structure of UniProt P35579
• Elsewhere: RCSB PDB 3ZWH · PDBe 3ZWH · UniProt P26447 · UniProt P35579