Structure of the human cc chemokine receptor 7 in complex with the intracellular allosteric antagonist CMP2105 and the insertion protein sialidase nana

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 30% strand (DSSP).

Ligands and binding sites

• JLW · 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl) propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide · ligand · chains A
• NA · Sodium ion · metal · chains A
• TAR · D(-)-tartaric acid · additive · 2 copies · chains A
• PGE · Triethylene glycol · additive · chains A

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6QZH · Structure of the human CC Chemokine Receptor 7 in complex with the intracellular… · the same entry in another collection · chain A against A, TM-score 1.00
• P62575 · AlphaFold monomer V2.0 prediction for sialidase a (P62575) · a predicted model of the same protein · chain A against A, TM-score 0.65
• P32248 · AlphaFold monomer V2.0 prediction for C-C chemokine receptor type 7 (P32248) · a predicted model of the same protein · chain A against A, TM-score 0.36

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 P32248
• Every structure of UniProt P62575
• Elsewhere: RCSB PDB 6QZH · PDBe 6QZH · UniProt P32248 · UniProt P62575