Crystal structure of a standalone versatile eal protein from vibrio cholerae O395 - C-di-imp bound form

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Ligands and binding sites

• C2I · 9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$L^{5},12$L^{5}-diphosphatricyclo[13.3.0.0^{6, 10}]octadecan-8-yl]-3H-purin-6-one · ligand · 4 copies · chains A, B, C, D
• CA · Calcium ion · metal · 8 copies · chains A, B, C, D

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

Pockets

16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• A–D · 1112 Ų buried · 15 hydrogen bonds · protein-protein
• C–D · 588 Ų buried · 6 hydrogen bonds · protein-protein
• B–C · 413 Ų buried · 4 hydrogen bonds · protein-protein
• A–B · 262 Ų buried · 1 hydrogen bond · protein-protein
• A–C · 136 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 6K6T · Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395… · 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 A0A0H3AJ04
• Elsewhere: RCSB PDB 6K6T · PDBe 6K6T · UniProt A0A0H3AJ04