High resolution crystal structure of translocator protein 18KDA (tspo) from rhodobacter sphaeroides (A139T mutant) in C2 space group

Structure

x-ray diffraction · 3 distinct chains · 77% helix, 0% strand (DSSP).

Ligands and binding sites

• PP9 · Protoporphyrin IX · ligand · chains A, C
• Z0P · (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate · ligand · chains A, B, C
• MOE · Methoxy-ethoxyl · ligand · chains C
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 17 copies · chains A, C, B
• P4C · O-acetaldehydyl-hexaethylene glycol · additive · chains C

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 1286 Ų buried · 4 hydrogen bonds · protein-protein
• A–C · 780 Ų buried · 1 hydrogen bond · protein-protein
• B–C · 24 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 4UC1 · High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9RFC8 · AlphaFold monomer V2.0 prediction for tryptophan-rich sensory protein (Q9RFC8) · a predicted model of the same protein · chain B 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 Q9RFC8
• Elsewhere: RCSB PDB 4UC1 · PDBe 4UC1 · UniProt Q9RFC8