Structural genomics, the crystal structure of the CORC/HLYC transporter associated domain of a cbs domain protein from chlorobium tepidum tls

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 36% strand (DSSP).

Ligands and binding sites

• MG · Magnesium ion · metal · 6 copies · chains G, H, I, J
• EDO · 1,2-ethanediol · additive · 13 copies · chains A, C, B, D, E, F, I, J
• FMT · Formic acid · additive · 6 copies · chains B, C, K, D, I, A, L
• ACT · Acetate ion · additive · 4 copies · chains A, B, C, D, E, F, K, L

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

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Interfaces

20 interfaces between chains.

• G–H · 549 Ų buried · 15 hydrogen bonds · protein-protein
• I–J · 504 Ų buried · 17 hydrogen bonds · protein-protein
• B–H · 431 Ų buried · 6 hydrogen bonds · protein-protein
• F–L · 422 Ų buried · 5 hydrogen bonds · protein-protein
• A–B · 421 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 modified (engineered).

Compared structures

• 2PLS · Structural Genomics, the crystal structure of the CorC/HlyC transporter associated domain… · 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 Q8KEZ1
• Elsewhere: RCSB PDB 2PLS · PDBe 2PLS · UniProt Q8KEZ1