Bromine in PDB 8p74: Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation)

All present enzymatic activity of Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation):
2.7.11.22; 2.7.11.23;

The binding sites of Bromine atom in the Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation) (pdb code 8p74). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation), PDB code: 8p74:

Bromine binding site 1 out of 1 in the Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cryo-Em Structure of Cak in Complex with Inhibitor ICEC0880 (Ring-Up Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ J:Br401 b:97.0 occ:1.00 BR17 J:X3Z401 0.0 97.0 1.0 C16 J:X3Z401 1.9 40.0 1.0 C15 J:X3Z401 2.9 37.8 1.0 C11 J:X3Z401 2.9 44.3 1.0 N09 J:X3Z401 3.1 38.5 1.0 C08 J:X3Z401 3.2 40.3 1.0 O J:MET94 3.3 33.1 1.0 C10 J:X3Z401 3.3 38.9 1.0 CB J:MET94 3.5 24.0 1.0 N07 J:X3Z401 3.5 34.9 1.0 O J:THR96 3.7 31.1 1.0 C J:MET94 3.8 26.5 1.0 CD2 J:LEU144 3.8 9.9 1.0 N06 J:X3Z401 3.8 32.4 1.0 CD1 J:LEU144 3.9 24.3 1.0 C18 J:X3Z401 3.9 41.5 1.0 C J:THR96 3.9 22.8 1.0 N J:THR96 4.0 26.7 1.0 CA J:THR96 4.1 24.6 1.0 CG J:LEU144 4.2 18.5 1.0 C14 J:X3Z401 4.2 45.5 1.0 CA J:MET94 4.2 26.9 1.0 C12 J:X3Z401 4.2 44.7 1.0 C29 J:X3Z401 4.3 36.0 1.0 CB J:LEU144 4.3 20.5 1.0 C J:GLU95 4.3 28.9 1.0 O J:GLU95 4.5 37.7 1.0 N J:GLU95 4.6 23.8 1.0 C19 J:X3Z401 4.6 45.0 1.0 CG J:MET94 4.6 24.9 1.0 N J:ASP97 4.6 22.4 1.0 C05 J:X3Z401 4.6 34.8 1.0 C13 J:X3Z401 4.7 47.5 1.0 N28 J:X3Z401 4.8 41.0 1.0 N J:MET94 4.8 28.3 1.0 C04 J:X3Z401 4.9 35.0 1.0 CB J:ASP97 5.0 19.4 1.0

V.I.Cushing, A.F.Koh, J.Feng, K.Jurgaityte, A.Bondke, S.H.B.Kroll, M.Barbazanges, B.Scheiper, A.K.Bahl, A.G.M.Barrett, S.Ali, A.Kotecha, B.J.Greber. High-Resolution Cryo-Em of the Human Cdk-Activating Kinase For Structure-Based Drug Design Nat Commun 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-46375-9