Bromine in PDB 7qwd: Cc-TYPE2-(Ug)4

The structure of Cc-TYPE2-(Ug)4, PDB code: 7qwd 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)	43.00 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.108, 48.994, 89.376, 90, 90, 90
R / Rfree (%)	21.4 / 24.9

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

Bromine binding site 1 out of 5 in the Cc-TYPE2-(Ug)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-(Ug)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br19 b:35.6 occ:1.00 BR A:4BF19 0.0 35.6 1.0 CZ A:4BF19 1.9 28.3 1.0 CE1 A:4BF19 2.8 24.7 1.0 CE2 A:4BF19 2.9 25.2 1.0 CD1 A:4BF19 4.1 22.1 1.0 CD2 A:4BF19 4.1 22.9 1.0 CG A:4BF19 4.6 20.5 1.0 CD A:GLU23 4.9 24.9 1.0

Bromine binding site 2 out of 5 in the Cc-TYPE2-(Ug)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-(Ug)4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:31.8 occ:1.00 BR B:4BF19 0.0 31.8 1.0 CZ B:4BF19 1.9 24.5 1.0 CE2 B:4BF19 2.8 24.5 1.0 CE1 B:4BF19 2.9 23.3 1.0 CD C:GLU9 3.6 22.9 1.0 CG C:GLU9 3.6 20.8 1.0 OE2 C:GLU9 3.8 23.1 1.0 OE1 C:GLU9 4.1 23.2 1.0 CD2 B:4BF19 4.1 22.6 1.0 CD1 B:4BF19 4.2 21.6 1.0 OE2 B:GLU23 4.3 34.9 1.0 O B:HOH101 4.4 36.9 1.0 CD B:GLU23 4.5 29.4 1.0 CG B:4BF19 4.7 20.2 1.0 CG B:GLU23 4.7 24.3 1.0 CB C:GLU9 4.9 19.8 1.0

Bromine binding site 3 out of 5 in the Cc-TYPE2-(Ug)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-(Ug)4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br19 b:48.6 occ:1.00 BR C:4BF19 0.0 48.6 1.0 CZ C:4BF19 1.9 33.9 1.0 CE1 C:4BF19 2.8 30.0 1.0 CE2 C:4BF19 2.8 32.4 1.0 OE2 C:GLU23 3.7 33.8 1.0 CD C:GLU23 3.8 27.0 1.0 CD1 C:4BF19 4.1 25.6 1.0 CD2 C:4BF19 4.1 26.4 1.0 OE1 C:GLU23 4.2 31.5 1.0 CG C:GLU23 4.2 24.2 1.0 CG C:4BF19 4.6 23.5 1.0

Bromine binding site 4 out of 5 in the Cc-TYPE2-(Ug)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-(Ug)4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br19 b:38.8 occ:1.00 BR D:4BF19 0.0 38.8 1.0 CZ D:4BF19 1.9 28.8 1.0 CE1 D:4BF19 2.8 27.2 1.0 CE2 D:4BF19 2.8 27.5 1.0 CD1 D:4BF19 4.1 24.6 1.0 CD2 D:4BF19 4.1 24.6 1.0 CG D:4BF19 4.6 22.1 1.0 OE2 D:GLU23 4.8 44.8 1.0 CG D:GLU23 5.0 30.1 1.0

Bromine binding site 5 out of 5 in the Cc-TYPE2-(Ug)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-(Ug)4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Br19 b:34.9 occ:1.00 BR E:4BF19 0.0 34.9 1.0 CZ E:4BF19 1.9 24.6 1.0 CE2 E:4BF19 2.8 24.5 1.0 CE1 E:4BF19 2.8 23.5 1.0 CD2 E:4BF19 4.1 22.7 1.0 CD1 E:4BF19 4.1 21.5 1.0 CG E:GLU23 4.2 20.1 1.0 CG E:4BF19 4.6 21.4 1.0 CD E:GLU23 4.7 24.0 1.0 OE2 E:GLU23 4.9 27.3 1.0

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