Chlorine in PDB 7fic: Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo

All present enzymatic activity of Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo:
2.7.11.1;

The structure of Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo, PDB code: 7fic was solved by G.B.Craven, X.B.Wan, J.Taunton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.17 / 2.32
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.95, 87.95, 76.824, 90, 90, 120
R / Rfree (%)	23.6 / 27.4

The binding sites of Chlorine atom in the Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo (pdb code 7fic). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo, PDB code: 7fic:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:86.5 occ:1.00 NZ A:LYS339 3.9 101.0 1.0 CD A:LYS339 4.0 80.9 1.0 NH2 A:ARG343 4.1 83.3 1.0 NH1 A:ARG343 4.2 79.5 1.0 CE A:LYS339 4.6 88.9 1.0 CZ A:ARG343 4.6 78.3 1.0

Chlorine binding site 2 out of 3 in the Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:126.2 occ:1.00 CE1 A:HIS306 3.3 122.6 1.0 CE A:MET300 3.5 104.8 1.0 ND1 A:HIS306 3.7 113.9 1.0 O A:ARG304 4.3 105.0 1.0 NE2 A:HIS306 4.3 123.3 1.0 O A:MET300 4.4 83.6 1.0 CA A:MET300 4.5 77.2 1.0 CB A:MET300 4.8 76.3 1.0 C A:MET300 4.9 77.4 1.0 SD A:MET300 4.9 110.1 1.0 CG A:HIS306 4.9 108.6 1.0

Chlorine binding site 3 out of 3 in the Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:123.0 occ:0.50 CB A:ARG180 4.9 123.1 1.0

T.Yang, A.Cuesta, X.Wan, G.B.Craven, B.Hirakawa, P.Khamphavong, J.R.May, J.C.Kath, J.D.Lapek Jr., S.Niessen, A.L.Burlingame, J.D.Carelli, J.Taunton. Reversible Lysine-Targeted Probes Reveal Residence Time-Based Kinase Selectivity. Nat.Chem.Biol. V. 18 934 2022.
ISSN: ESSN 1552-4469
PubMed: 35590003
DOI: 10.1038/S41589-022-01019-1