Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of streptococcal protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 45% strand (DSSP).

Ligands and binding sites

• MG · Magnesium ion · metal · 2 copies · chains A, B

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

Interfaces

6 interfaces between chains.

• C–D · 596 Ų buried · 8 hydrogen bonds · protein-protein
• A–B · 588 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 383 Ų buried · 2 hydrogen bonds · protein-protein
• A–D · 379 Ų buried · 1 hydrogen bond · protein-protein
• B–D · 264 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 6NLB · Crystal structure of de novo designed metal-controlled dimer of mutant B1… · the same entry in another collection · chain A against A, TM-score 1.00
• P19909 · AlphaFold monomer V2.0 prediction for immunoglobulin G-binding protein G (P19909) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P19909
• Elsewhere: RCSB PDB 6NLB · PDBe 6NLB · UniProt P19909