Crystal structure of full-length split GFP mutant E115H/T118H with nickel mediated crystal contacts, P 21 21 21 space group

Structure

x-ray diffraction · 4 distinct chains · 11% 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
• NI · Nickel (II) ion · metal · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
• CIT · Citric acid · additive · chains C

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

Pockets

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

Interfaces

4 interfaces between chains.

• B–C · 1009 Ų buried · 18 hydrogen bonds · protein-protein
• A–D · 831 Ų buried · 5 hydrogen bonds · protein-protein
• A–B · 739 Ų buried · 12 hydrogen bonds · protein-protein
• C–D · 72 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 cofactor (chromophore).

Compared structures

• 4W6U · Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Nickel Mediated… · the same entry in another collection · chain D against D, 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 4W6U · PDBe 4W6U