Crystal structure of the core streptavidin mutant V21 (Y22S/N23D/S27D/Y83S/R84K/E101D/R103K/E116N) complexed with biotin long tail (btntail) at 1.5 a resolution

Structure

x-ray diffraction · 3 distinct chains · 10% helix, 55% strand (DSSP).

Ligands and binding sites

• ZOE · 6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid · ligand · 4 copies · chains A, D, B, C
• CD · Cadmium ion · metal · 9 copies · chains A, B, C, D
• GOL · Glycerol · additive · 3 copies · chains A, C, D
• P6G · Hexaethylene glycol · additive · 2 copies · chains A, D

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• C–D · 1642 Ų buried · 27 hydrogen bonds · protein-protein
• A–B · 1635 Ų buried · 25 hydrogen bonds · protein-protein
• A–D · 519 Ų buried · 2 hydrogen bonds · protein-protein
• B–C · 510 Ų buried · 4 hydrogen bonds · protein-protein
• B–D · 219 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 3WZO · Crystal structure of the core streptavidin mutant V21… · the same entry in another collection · chain A against A, TM-score 1.00

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 P22629
• Elsewhere: RCSB PDB 3WZO · PDBe 3WZO · UniProt P22629