Bromine in PDB 7qwb: Cc-TYPE2-(Ue)4

The structure of Cc-TYPE2-(Ue)4, PDB code: 7qwb was solved by F.J.O.Martin, F.Zieleniewski, W.M.Dawson, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.946, 57.211, 43.946, 90, 96.66, 90
R / Rfree (%)	17.9 / 22.7

The binding sites of Bromine atom in the Cc-TYPE2-(Ue)4 (pdb code 7qwb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Cc-TYPE2-(Ue)4, PDB code: 7qwb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br19 b:34.9 occ:1.00 BR A:4BF19 0.0 34.9 1.0 CZ A:4BF19 1.9 27.1 1.0 CE2 A:4BF19 2.8 24.1 1.0 CE1 A:4BF19 2.8 34.3 1.0 CD1 F:4BF19 3.8 27.3 1.0 CB F:GLU16 3.9 22.7 1.0 CG F:GLU16 3.9 30.4 1.0 CD2 A:4BF19 4.1 21.6 1.0 CD1 A:4BF19 4.1 34.7 1.0 CE1 F:4BF19 4.2 29.2 1.0 CA F:GLU16 4.2 25.0 1.0 O F:GLU16 4.3 22.5 1.0 CE A:LYS15 4.5 26.9 1.0 O A:HOH111 4.5 26.9 1.0 CD F:GLU16 4.5 30.9 1.0 CG A:4BF19 4.7 26.4 1.0 C F:GLU16 4.7 23.5 1.0 CG F:4BF19 4.7 25.5 1.0 OE2 F:GLU16 4.9 28.1 1.0

Bromine binding site 2 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:38.2 occ:1.00 BR B:4BF19 0.0 38.2 1.0 CZ B:4BF19 1.9 30.1 1.0 CE2 B:4BF19 2.8 30.1 1.0 CE1 B:4BF19 2.9 31.0 1.0 O D:HOH106 3.7 38.5 1.0 CD B:GLU23 3.8 37.0 1.0 O D:HOH107 3.9 37.9 1.0 CG B:GLU23 4.0 28.7 1.0 OE1 B:GLU23 4.0 31.3 1.0 OE2 B:GLU23 4.1 33.4 1.0 CD2 B:4BF19 4.1 24.1 1.0 CD1 B:4BF19 4.1 30.4 1.0 CG B:4BF19 4.7 24.5 1.0

Bromine binding site 3 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br19 b:31.5 occ:1.00 BR C:4BF19 0.0 31.5 1.0 CZ C:4BF19 1.9 25.8 1.0 CE1 C:4BF19 2.8 27.0 1.0 CE2 C:4BF19 2.8 23.9 1.0 CD1 C:4BF19 4.1 23.4 1.0 CD2 C:4BF19 4.1 24.9 1.0 CG C:4BF19 4.7 21.2 1.0

Bromine binding site 4 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br19 b:32.0 occ:1.00 BR D:4BF19 0.0 32.0 1.0 CZ D:4BF19 1.9 24.6 1.0 CE1 D:4BF19 2.8 33.3 1.0 CE2 D:4BF19 2.8 21.6 1.0 CB B:GLU16 3.8 19.4 1.0 CD1 B:4BF19 3.9 30.4 1.0 CG B:GLU16 3.9 27.0 1.0 CD2 D:4BF19 4.1 22.2 1.0 CA B:GLU16 4.1 19.4 1.0 CD1 D:4BF19 4.1 32.3 1.0 O B:GLU16 4.1 20.0 1.0 O D:HOH108 4.3 32.9 1.0 CE1 B:4BF19 4.4 31.0 1.0 C B:GLU16 4.6 18.2 1.0 CD B:GLU16 4.6 35.9 1.0 CE D:LYS15 4.6 32.2 1.0 CG D:4BF19 4.7 23.0 1.0 CG B:4BF19 4.8 24.5 1.0 CB B:4BF19 4.9 26.4 1.0

Bromine binding site 5 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Br19 b:35.0 occ:1.00 BR E:4BF19 0.0 35.0 1.0 CZ E:4BF19 1.9 22.4 1.0 CE1 E:4BF19 2.8 23.2 1.0 CE2 E:4BF19 2.9 31.1 1.0 CD1 E:4BF19 4.1 22.5 1.0 CD2 E:4BF19 4.2 28.5 1.0 CG E:GLU23 4.2 27.4 1.0 OE2 E:GLU23 4.3 34.2 1.0 CD E:GLU23 4.4 25.0 1.0 CG E:4BF19 4.7 21.6 1.0

Bromine binding site 6 out of 6 in the Cc-TYPE2-(Ue)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Cc-TYPE2-(Ue)4 within 5.0Å range: probe atom residue distance (Å) B Occ F:Br19 b:36.9 occ:1.00 BR F:4BF19 0.0 36.9 1.0 CZ F:4BF19 1.9 27.6 1.0 CE2 F:4BF19 2.8 29.8 1.0 CE1 F:4BF19 2.8 29.2 1.0 CG F:GLU23 4.0 26.5 1.0 CD F:GLU23 4.1 35.3 1.0 CD2 F:4BF19 4.1 23.6 1.0 CD1 F:4BF19 4.1 27.3 1.0 OE1 F:GLU23 4.4 55.8 1.0 OE2 F:GLU23 4.4 45.2 1.0 CG F:4BF19 4.7 25.5 1.0

F.J.O.Martin, F.Zieleniewski, W.M.Dawson, D.N.Woolfson. Cc-TYPE2-(Ue)4 To Be Published.