Bromine in PDB 7bo8: A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe)-Y24F.

The structure of A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe)-Y24F., PDB code: 7bo8 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)	38.57 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.15, 53.25, 111.88, 90, 90, 90
R / Rfree (%)	20.1 / 26.7

The binding sites of Bromine atom in the A Hexameric De Novo Coiled-Coil Assembly: Cc-TYPE2-(Vayd)4-Y3F- W19(Brphe)-Y24F. (pdb code 7bo8). 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)-Y24F., PDB code: 7bo8:
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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br19 b:65.4 occ:1.00 BR A:4BF19 0.0 65.4 1.0 CZ A:4BF19 1.9 57.3 1.0 CE2 A:4BF19 2.8 42.8 1.0 CE1 A:4BF19 2.9 50.0 1.0 CD2 A:4BF19 4.1 41.4 1.0 CD1 A:4BF19 4.2 51.7 1.0 CD A:GLU23 4.3 61.3 1.0 OE2 A:GLU23 4.4 57.6 1.0 CG A:GLU23 4.4 54.1 1.0 OE1 A:GLU23 4.6 65.4 1.0 CG A:4BF19 4.7 41.8 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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:67.5 occ:1.00 BR B:4BF19 0.0 67.5 1.0 CZ B:4BF19 1.9 48.6 1.0 CE1 B:4BF19 2.8 45.9 1.0 CE2 B:4BF19 2.9 46.5 1.0 CD B:GLU23 4.1 59.1 1.0 CD1 B:4BF19 4.1 44.8 1.0 CD2 B:4BF19 4.2 47.6 1.0 OE1 B:GLU23 4.2 65.8 1.0 OE2 B:GLU23 4.2 64.7 1.0 CG B:GLU23 4.5 52.6 1.0 CG B:4BF19 4.7 44.9 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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ C:Br19 b:105.9 occ:1.00 BR C:4BF19 0.0 105.9 1.0 CZ C:4BF19 1.9 70.3 1.0 CE1 C:4BF19 2.8 77.7 1.0 CE2 C:4BF19 2.8 62.7 1.0 CD1 C:4BF19 4.1 65.3 1.0 CD2 C:4BF19 4.1 61.9 1.0 CG C:4BF19 4.7 59.4 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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ D:Br19 b:76.1 occ:1.00 BR D:4BF19 0.0 76.1 1.0 CZ D:4BF19 1.9 60.3 1.0 CE2 D:4BF19 2.8 53.1 1.0 CE1 D:4BF19 2.8 62.0 1.0 CD2 D:4BF19 4.1 56.1 1.0 CD1 D:4BF19 4.1 54.5 1.0 CG D:4BF19 4.7 44.9 1.0 CD D:GLU23 4.8 60.8 1.0 OE2 D:GLU23 4.8 67.0 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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ E:Br19 b:84.3 occ:1.00 BR E:4BF19 0.0 84.3 1.0 CZ E:4BF19 1.9 63.9 1.0 CE1 E:4BF19 2.9 63.5 1.0 CE2 E:4BF19 2.9 56.0 1.0 CD1 E:4BF19 4.2 59.8 1.0 CD2 E:4BF19 4.2 60.4 1.0 CD E:GLU23 4.4 65.3 1.0 OE2 E:GLU23 4.6 71.8 1.0 OE1 E:GLU23 4.6 56.6 1.0 CG E:4BF19 4.7 49.7 1.0 CG E:GLU23 4.8 55.3 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)-Y24F.


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)-Y24F. within 5.0Å range: probe atom residue distance (Å) B Occ F:Br19 b:93.6 occ:1.00 BR F:4BF19 0.0 93.6 1.0 CZ F:4BF19 1.9 52.7 1.0 CE2 F:4BF19 2.8 47.1 1.0 CE1 F:4BF19 2.8 50.6 1.0 CD2 F:4BF19 4.1 43.6 1.0 CD1 F:4BF19 4.1 48.6 1.0 CE F:LYS15 4.5 80.5 1.0 CG F:4BF19 4.7 43.5 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