Crystal structure of CSM6 H132A mutant in complex with CA4 by cocrystallization of CA4 and CSM6 H132A mutant

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).

Ligands and binding sites

• ACK · 2',3'- cyclic AMP · ligand · 2 copies · chains A, B
• LQJ · 3'-O-[(R)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy) phosphoryl]adenosine · ligand · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2316 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

• 6O70 · Crystal structure of Csm6 H132A mutant in complex with cA4 by cocrystallization of cA4… · 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 B6YWC3
• Elsewhere: RCSB PDB 6O70 · PDBe 6O70 · UniProt B6YWC3