Bromine in PDB 6yid: Crystal Structure of ULK2 in Complex with Sbi-0206965

All present enzymatic activity of Crystal Structure of ULK2 in Complex with Sbi-0206965:
2.7.11.1;

The structure of Crystal Structure of ULK2 in Complex with Sbi-0206965, PDB code: 6yid was solved by A.Chaikuad, H.Ren, N.A.Bakas, L.J.Lambert, N.D.P.Cosford, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.55 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.968, 76.526, 95.244, 90.00, 97.03, 90.00
R / Rfree (%)	19.2 / 23.8

The binding sites of Bromine atom in the Crystal Structure of ULK2 in Complex with Sbi-0206965 (pdb code 6yid). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of ULK2 in Complex with Sbi-0206965, PDB code: 6yid:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of ULK2 in Complex with Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of ULK2 in Complex with Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:66.2 occ:1.00 BR5 A:EDJ301 0.0 66.2 1.0 C5 A:EDJ301 1.9 57.1 1.0 C6 A:EDJ301 2.8 60.3 1.0 C4 A:EDJ301 2.9 55.2 1.0 OAU A:EDJ301 3.1 57.5 1.0 SD A:MET85 3.6 59.8 1.0 CB A:MET85 3.9 52.1 1.0 O A:GLU86 4.0 54.3 1.0 CB A:ALA37 4.0 52.5 1.0 OAE A:EDJ301 4.1 67.7 1.0 N1 A:EDJ301 4.1 59.1 1.0 CG2 A:VAL69 4.2 58.3 1.0 N3 A:EDJ301 4.2 57.6 1.0 CE A:MET85 4.2 65.0 1.0 CG A:MET85 4.4 55.9 1.0 CAZ A:EDJ301 4.5 61.2 1.0 C2 A:EDJ301 4.6 60.5 1.0 CD1 A:LEU138 4.6 59.1 1.0 CE A:LYS39 4.6 82.9 1.0 CAV A:EDJ301 4.8 64.6 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of ULK2 in Complex with Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of ULK2 in Complex with Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:76.6 occ:1.00 BR5 B:EDJ301 0.0 76.6 1.0 C5 B:EDJ301 1.9 58.8 1.0 C6 B:EDJ301 2.8 54.5 1.0 C4 B:EDJ301 2.9 56.3 1.0 OAU B:EDJ301 3.1 50.9 1.0 CE B:LYS39 3.8 70.4 1.0 SD B:MET85 3.9 53.1 1.0 CB B:ALA37 4.0 48.2 1.0 CB B:MET85 4.1 52.3 1.0 N1 B:EDJ301 4.1 51.7 1.0 N3 B:EDJ301 4.1 53.4 1.0 O B:GLU86 4.3 53.3 1.0 OAE B:EDJ301 4.3 61.9 1.0 CE B:MET85 4.4 59.9 1.0 CG2 B:VAL69 4.4 61.6 1.0 CAZ B:EDJ301 4.4 51.0 1.0 NZ B:LYS39 4.5 79.1 1.0 C2 B:EDJ301 4.5 49.8 1.0 CG B:MET85 4.6 56.9 1.0 CD1 B:LEU138 4.7 57.1 1.0 CG B:LYS39 4.7 61.9 1.0 CD B:LYS39 4.8 65.6 1.0 CAV B:EDJ301 4.9 60.5 1.0 CG1 B:VAL23 4.9 48.9 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of ULK2 in Complex with Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of ULK2 in Complex with Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br301 b:88.5 occ:1.00 BR5 C:EDJ301 0.0 88.5 1.0 C5 C:EDJ301 1.9 64.7 1.0 C6 C:EDJ301 2.8 63.5 1.0 C4 C:EDJ301 2.9 64.6 1.0 OAU C:EDJ301 3.0 69.5 1.0 SD C:MET85 3.9 80.7 1.0 CB C:ALA37 3.9 69.4 1.0 N1 C:EDJ301 4.1 59.9 1.0 CB C:MET85 4.1 70.4 1.0 N3 C:EDJ301 4.2 59.3 1.0 O C:GLU86 4.3 69.6 1.0 CE C:LYS39 4.3 97.9 1.0 CE C:MET85 4.3 83.2 1.0 CAZ C:EDJ301 4.4 72.1 1.0 CG2 C:VAL69 4.5 71.0 1.0 C2 C:EDJ301 4.6 59.3 1.0 CG C:MET85 4.6 77.6 1.0 CD1 C:LEU138 4.7 68.8 1.0 OAE C:EDJ301 4.8 83.0 1.0 NZ C:LYS39 4.8 0.0 1.0 CAV C:EDJ301 4.9 79.4 1.0 CG1 C:VAL23 4.9 71.6 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of ULK2 in Complex with Sbi-0206965


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of ULK2 in Complex with Sbi-0206965 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br301 b:84.1 occ:1.00 BR5 D:EDJ301 0.0 84.1 1.0 C5 D:EDJ301 1.9 68.9 1.0 C6 D:EDJ301 2.8 67.3 1.0 C4 D:EDJ301 2.9 69.0 1.0 OAU D:EDJ301 3.0 67.7 1.0 CB D:ALA37 3.8 66.2 1.0 SD D:MET85 4.0 67.2 1.0 N1 D:EDJ301 4.1 67.6 1.0 N3 D:EDJ301 4.1 67.1 1.0 CB D:MET85 4.1 59.1 1.0 CE D:LYS39 4.1 93.5 1.0 OAE D:EDJ301 4.2 84.6 1.0 O D:GLU86 4.3 67.0 1.0 CAZ D:EDJ301 4.4 68.3 1.0 CE D:MET85 4.5 68.7 1.0 C2 D:EDJ301 4.5 67.0 1.0 CG D:MET85 4.6 61.6 1.0 CG2 D:VAL69 4.7 61.9 1.0 CG1 D:VAL23 4.8 73.2 1.0 CAV D:EDJ301 4.8 76.1 1.0 CD1 D:LEU138 4.8 71.7 1.0 CG D:LYS39 4.8 80.6 1.0 NZ D:LYS39 4.9 99.3 1.0

A.Chaikuad, H.Ren, N.A.Bakas, L.J.Lambert, N.D.P.Cosford, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of ULK2 in Complex with Sbi-0206965 To Be Published.