Bromine in PDB 7bo9: A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).

The structure of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe)., PDB code: 7bo9 was solved by G.G.Rhys, R.L.Brady, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.08 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.63, 50.9, 69.43, 90, 90, 90
R / Rfree (%)	18.7 / 23.9

The binding sites of Bromine atom in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). (pdb code 7bo9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe)., PDB code: 7bo9:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ A:Br19 b:40.9 occ:1.00 BR A:4BF19 0.0 40.9 1.0 CZ A:4BF19 1.9 29.2 1.0 CE1 A:4BF19 2.8 29.4 1.0 CE2 A:4BF19 2.8 28.8 1.0 CD A:LYS15 4.0 23.7 1.0 CG A:LYS15 4.1 22.6 1.0 CD1 A:4BF19 4.1 25.9 1.0 CD2 A:4BF19 4.1 25.8 1.0 CD E:GLU9 4.4 31.9 1.0 OE1 E:GLU9 4.4 34.8 1.0 CG A:4BF19 4.6 25.3 1.0 OE2 E:GLU9 4.7 39.4 1.0 CG E:GLU9 4.7 28.5 1.0 CE A:LYS15 4.7 25.9 1.0

Bromine binding site 2 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:76.0 occ:1.00 BR B:4BF19 0.0 76.0 1.0 CZ B:4BF19 1.9 46.8 1.0 CE1 B:4BF19 2.8 45.5 1.0 CE2 B:4BF19 2.8 41.9 1.0 CE B:LYS15 3.1 46.7 1.0 NZ B:LYS15 3.3 49.1 1.0 CD B:LYS15 3.8 39.4 1.0 CD1 B:4BF19 4.1 42.1 1.0 CD2 B:4BF19 4.1 37.2 1.0 CG B:LYS15 4.3 34.0 1.0 O B:HOH124 4.5 55.4 1.0 CG B:4BF19 4.6 35.1 1.0 O B:HOH114 4.7 42.4 1.0

Bromine binding site 3 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ C:Br19 b:91.6 occ:1.00 BR C:4BF19 0.0 91.6 1.0 CZ C:4BF19 1.9 64.6 1.0 CE1 C:4BF19 2.8 60.3 1.0 CE2 C:4BF19 2.9 59.6 1.0 OE2 C:GLU23 3.4 48.9 1.0 CD1 C:4BF19 4.1 55.4 1.0 CD2 C:4BF19 4.2 52.9 1.0 CD C:GLU23 4.3 40.5 1.0 O C:HOH117 4.5 39.8 1.0 CG C:4BF19 4.7 44.2 1.0 CG C:GLU23 4.8 34.2 1.0 O F:HOH117 5.0 63.9 1.0

Bromine binding site 4 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ D:Br19 b:117.7 occ:1.00 BR D:4BF19 0.0 117.7 1.0 CZ D:4BF19 1.9 79.6 1.0 CE1 D:4BF19 2.8 73.3 1.0 CE2 D:4BF19 2.8 73.6 1.0 CD D:LYS15 3.7 40.3 1.0 CG D:LYS15 3.8 37.0 1.0 CD1 D:4BF19 4.1 64.5 1.0 CD2 D:4BF19 4.1 65.0 1.0 O B:HOH124 4.2 55.4 1.0 O D:HOH118 4.3 42.0 1.0 CE D:LYS15 4.4 46.7 1.0 CG D:4BF19 4.7 54.9 1.0

Bromine binding site 5 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ E:Br19 b:53.4 occ:1.00 BR E:4BF19 0.0 53.4 1.0 CZ E:4BF19 1.9 35.5 1.0 CE2 E:4BF19 2.9 35.1 1.0 CE1 E:4BF19 2.9 35.3 1.0 OE2 E:GLU23 3.7 48.1 1.0 CD E:GLU23 3.7 48.4 1.0 OE1 E:GLU23 4.0 50.7 1.0 CG E:GLU23 4.1 41.9 1.0 CD2 E:4BF19 4.2 32.3 1.0 CD1 E:4BF19 4.2 33.7 1.0 O E:HOH110 4.2 40.9 1.0 CG E:4BF19 4.7 30.5 1.0

Bromine binding site 6 out of 6 in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe).


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe). within 5.0Å range: probe atom residue distance (Å) B Occ F:Br19 b:35.1 occ:1.00 BR F:4BF19 0.0 35.1 1.0 CZ F:4BF19 1.9 28.3 1.0 CE1 F:4BF19 2.8 27.0 1.0 CE2 F:4BF19 2.9 26.9 1.0 O F:HOH107 3.6 36.8 1.0 CD1 F:4BF19 4.1 25.6 1.0 OE1 F:GLU23 4.1 31.7 1.0 CD2 F:4BF19 4.1 25.6 1.0 CG F:4BF19 4.6 22.9 1.0 O F:HOH113 4.8 27.4 1.0

G.G.Rhys, W.M.Dawson, J.L.Beesley, F.J.O.Martin, R.L.Brady, A.R.Thomson, D.N.Woolfson. How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues. Biomacromolecules V. 22 2010 2021.
ISSN: ESSN 1526-4602
PubMed: 33881308
DOI: 10.1021/ACS.BIOMAC.1C00131