Bromine in PDB 6bx6: Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965

All present enzymatic activity of Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965:
2.7.11.1; 2.7.11.27; 2.7.11.31;

The structure of Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965, PDB code: 6bx6 was solved by T.A.Dite, C.G.Langendorf, J.W.Scott, J.S.Oakhill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.93 / 2.90
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.430, 54.783, 143.188, 90.00, 96.25, 90.00
R / Rfree (%)	25.2 / 28

The binding sites of Bromine atom in the Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965 (pdb code 6bx6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965, PDB code: 6bx6:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:0.5 occ:0.50 BR5 A:EDJ301 0.0 0.5 0.5 BR5 A:EDJ301 0.1 0.4 0.5 C5 A:EDJ301 1.8 0.6 0.5 C5 A:EDJ301 1.9 0.5 0.5 C4 A:EDJ301 2.7 0.4 0.5 OAU A:EDJ301 2.7 0.7 0.5 C6 A:EDJ301 2.8 0.8 0.5 C6 A:EDJ301 2.8 0.6 0.5 C4 A:EDJ301 2.9 0.2 0.5 CAI A:EDJ301 3.0 0.4 0.5 OAU A:EDJ301 3.0 0.4 0.5 CAZ A:EDJ301 3.3 0.6 0.5 CB A:ALA43 3.8 78.2 1.0 N3 A:EDJ301 3.9 1.0 0.5 CAZ A:EDJ301 4.0 0.9 0.5 N1 A:EDJ301 4.0 0.4 0.5 N3 A:EDJ301 4.1 0.7 0.5 N1 A:EDJ301 4.1 0.1 0.5 CAG A:EDJ301 4.1 0.6 0.5 OAE A:EDJ301 4.2 0.8 0.5 SD A:MET93 4.3 88.9 1.0 C2 A:EDJ301 4.5 0.6 0.5 CG1 A:VAL30 4.5 90.0 1.0 CE A:MET93 4.5 84.5 1.0 CG2 A:ILE77 4.5 76.5 1.0 CG A:LYS45 4.6 89.7 1.0 C2 A:EDJ301 4.6 0.3 0.5 CB A:MET93 4.6 83.2 1.0 CBC A:EDJ301 4.7 0.1 0.5 CD A:LYS45 4.7 98.9 1.0 O A:GLU94 4.7 86.8 1.0 CAI A:EDJ301 4.8 0.8 0.5 CAV A:EDJ301 4.8 0.8 0.5 CBC A:EDJ301 4.9 0.4 0.5 CD1 A:ILE77 4.9 82.9 1.0

Bromine binding site 2 out of 2 in the Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Amp-Activated Protein Kinase (Ampk) Inhibition By Sbi-0206965: Alpha 2 Kinase Domain Bound to Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:0.4 occ:0.50 BR5 A:EDJ301 0.0 0.4 0.5 BR5 A:EDJ301 0.1 0.5 0.5 C5 A:EDJ301 1.8 0.6 0.5 C5 A:EDJ301 2.0 0.5 0.5 C4 A:EDJ301 2.8 0.4 0.5 C6 A:EDJ301 2.8 0.8 0.5 OAU A:EDJ301 2.9 0.7 0.5 C6 A:EDJ301 2.9 0.6 0.5 C4 A:EDJ301 3.0 0.2 0.5 CAI A:EDJ301 3.1 0.4 0.5 OAU A:EDJ301 3.1 0.4 0.5 CAZ A:EDJ301 3.5 0.6 0.5 CB A:ALA43 3.8 78.2 1.0 N3 A:EDJ301 4.1 1.0 0.5 N1 A:EDJ301 4.1 0.4 0.5 CAZ A:EDJ301 4.2 0.9 0.5 N1 A:EDJ301 4.2 0.1 0.5 SD A:MET93 4.2 88.9 1.0 N3 A:EDJ301 4.2 0.7 0.5 CAG A:EDJ301 4.2 0.6 0.5 OAE A:EDJ301 4.3 0.8 0.5 CE A:MET93 4.4 84.5 1.0 CG2 A:ILE77 4.5 76.5 1.0 CB A:MET93 4.5 83.2 1.0 CG1 A:VAL30 4.5 90.0 1.0 CG A:LYS45 4.5 89.7 1.0 C2 A:EDJ301 4.6 0.6 0.5 CD A:LYS45 4.6 98.9 1.0 O A:GLU94 4.7 86.8 1.0 C2 A:EDJ301 4.7 0.3 0.5 CBC A:EDJ301 4.8 0.1 0.5 CAI A:EDJ301 4.9 0.8 0.5 CD1 A:ILE77 4.9 82.9 1.0 CAV A:EDJ301 4.9 0.8 0.5

T.A.Dite, C.G.Langendorf, A.Hoque, S.Galic, R.J.Rebello, A.J.Ovens, L.M.Lindqvist, K.R.W.Ngoei, N.X.Y.Ling, L.Furic, B.E.Kemp, J.W.Scott, J.S.Oakhill. Amp-Activated Protein Kinase Selectively Inhibited By the Type II Inhibitor Sbi-0206965. J. Biol. Chem. V. 293 8874 2018.
ISSN: ESSN 1083-351X
PubMed: 29695504
DOI: 10.1074/JBC.RA118.003547