Crystal structure of full-length split GFP mutant D21H/K26C disulfide and metal-mediated dimer, P 21 21 21 space group, form 4

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 53% strand (DSSP).

Ligands and binding sites

• CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 4 copies · chains A, B, C, D
• CU · Copper (II) ion · metal · 3 copies · chains A, B, C, D

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• C–D · 400 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 382 Ų buried · 7 hydrogen bonds · protein-protein
• A–C · 373 Ų buried · 2 hydrogen bonds · protein-protein
• B–C · 227 Ų buried · 1 hydrogen bond · protein-protein
• A–D · 19 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 cofactor, 2 disulfide (chromophore, disulfide).

Compared structures

• 4W7A · Crystal Structure of Full-Length Split GFP Mutant D21H/K26C Disulfide and Metal-Mediated… · 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
• Elsewhere: RCSB PDB 4W7A · PDBe 4W7A