Bromine in PDB 6zt1: Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4

The structure of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4, PDB code: 6zt1 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)	56.53 / 2.01
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.92, 128.1, 56.53, 90, 90, 90
R / Rfree (%)	20.7 / 26.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Bromine atom in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 (pdb code 6zt1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 13 binding sites of Bromine where determined in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4, PDB code: 6zt1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br19 b:100.3 occ:1.00 BR A:4BF19 0.0 100.3 1.0 CZ A:4BF19 1.9 67.6 1.0 CE1 A:4BF19 2.9 50.0 1.0 CE2 A:4BF19 2.9 52.9 1.0 CA L:GLY25 3.7 36.7 1.0 BR G:4BF19 3.8 80.1 1.0 N L:GLY25 3.9 33.5 1.0 CE1 G:4BF19 4.1 45.3 1.0 CG2 L:ILE24 4.1 33.1 1.0 CD1 A:4BF19 4.2 47.7 1.0 CD2 A:4BF19 4.2 45.5 1.0 CG G:GLU23 4.2 40.7 1.0 CZ G:4BF19 4.3 57.7 1.0 O L:LEU21 4.3 38.1 1.0 CB G:GLU23 4.4 36.0 1.0 C L:ILE24 4.4 38.2 1.0 CD1 L:LEU21 4.5 45.4 1.0 CG A:4BF19 4.7 44.8 1.0 O L:ILE24 4.7 37.1 1.0 OE2 A:GLU23 4.7 77.4 1.0 CB L:ILE24 4.8 38.0 1.0

Bromine binding site 2 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:83.3 occ:1.00 BR B:4BF19 0.0 83.3 1.0 CZ B:4BF19 1.9 56.2 1.0 CE1 B:4BF19 2.8 47.0 1.0 CE2 B:4BF19 2.8 40.4 1.0 OE2 B:GLU23 4.0 59.9 1.0 CD1 B:4BF19 4.1 45.1 1.0 CD2 B:4BF19 4.1 36.7 1.0 CG B:GLU23 4.5 50.2 1.0 CD B:GLU23 4.5 55.0 1.0 CG B:4BF19 4.6 34.0 1.0

Bromine binding site 3 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br19 b:146.1 occ:1.00 BR C:4BF19 0.0 146.1 1.0 CZ C:4BF19 1.9 124.1 1.0 CE2 C:4BF19 2.8 114.2 1.0 CE1 C:4BF19 2.9 109.6 1.0 CD2 C:4BF19 4.1 100.7 1.0 CD1 C:4BF19 4.2 94.7 1.0 CB C:LYS15 4.5 43.2 1.0 CG C:4BF19 4.7 82.9 1.0 CD C:LYS15 4.9 70.8 1.0

Bromine binding site 4 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br19 b:69.5 occ:1.00 BR D:4BF19 0.0 69.5 1.0 CZ D:4BF19 1.9 50.9 1.0 CE1 D:4BF19 2.9 35.8 1.0 CE2 D:4BF19 2.9 52.0 1.0 O D:HOH109 4.0 55.9 1.0 CD1 D:4BF19 4.2 42.4 1.0 CD2 D:4BF19 4.2 45.3 1.0 CG D:4BF19 4.8 37.1 1.0

Bromine binding site 5 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Br19 b:92.5 occ:1.00 BR E:4BF19 0.0 92.5 1.0 CZ E:4BF19 1.9 66.0 1.0 CE1 E:4BF19 2.8 49.8 1.0 CE2 E:4BF19 2.9 51.3 1.0 CD1 E:4BF19 4.1 42.5 1.0 CD2 E:4BF19 4.2 49.1 1.0 OE2 E:GLU23 4.3 60.5 1.0 CD E:GLU23 4.3 57.7 1.0 CG E:GLU23 4.4 53.6 1.0 CG E:4BF19 4.7 41.2 1.0 OE1 E:GLU23 4.8 58.1 1.0 O F:HOH101 5.0 45.1 1.0

Bromine binding site 6 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ F:Br19 b:97.8 occ:0.62 BR F:4BF19 0.0 97.8 0.6 CZ F:4BF19 1.9 77.1 0.6 CE1 F:4BF19 2.8 71.3 0.6 CE2 F:4BF19 2.9 69.1 0.6 CE1 F:4BF19 3.4 70.0 0.4 CD1 F:4BF19 4.0 64.0 0.4 CD1 F:4BF19 4.2 61.8 0.6 CD2 F:4BF19 4.2 64.2 0.6 CZ F:4BF19 4.4 72.4 0.4 CG F:4BF19 4.7 58.8 0.6 BR F:4BF19 4.7 93.3 0.4 NZ F:LYS15 4.9 99.7 1.0 CE F:LYS15 4.9 91.6 1.0 CD F:LYS15 5.0 78.9 1.0

Bromine binding site 7 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ F:Br19 b:93.3 occ:0.38 BR F:4BF19 0.0 93.3 0.4 CZ F:4BF19 1.9 72.4 0.4 CE2 F:4BF19 2.8 71.7 0.4 CE1 F:4BF19 2.8 70.0 0.4 NZ F:LYS12 2.9 86.6 1.0 CE2 F:4BF19 3.1 69.1 0.6 CE F:LYS15 3.4 91.6 1.0 CD2 F:4BF19 3.5 64.2 0.6 CG F:LYS15 3.9 60.6 1.0 CD1 F:4BF19 4.1 64.0 0.4 CD2 F:4BF19 4.1 66.6 0.4 CZ F:4BF19 4.2 77.1 0.6 CD F:LYS15 4.2 78.9 1.0 NZ F:LYS15 4.3 99.7 1.0 CE F:LYS12 4.3 88.7 1.0 CG F:GLU16 4.4 49.5 1.0 O F:HOH113 4.5 68.4 1.0 CG F:4BF19 4.6 58.6 0.4 BR F:4BF19 4.7 97.8 0.6 CB F:LYS15 4.8 38.6 1.0 CG F:4BF19 4.8 58.8 0.6 N F:GLU16 4.8 34.1 1.0 C F:LYS15 4.9 36.8 1.0 CA F:GLU16 4.9 36.5 1.0

Bromine binding site 8 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ G:Br19 b:80.1 occ:1.00 BR G:4BF19 0.0 80.1 1.0 CZ G:4BF19 1.9 57.7 1.0 CE2 G:4BF19 2.8 45.8 1.0 CE1 G:4BF19 2.8 45.3 1.0 CB A:LYS22 3.6 41.6 1.0 N A:GLU23 3.7 37.9 1.0 CZ A:4BF19 3.7 67.6 1.0 C A:LYS22 3.7 38.6 1.0 CG A:GLU23 3.7 53.5 1.0 BR A:4BF19 3.8 100.3 1.0 O A:LYS22 3.9 38.8 1.0 CA A:GLU23 3.9 35.1 1.0 CE1 A:4BF19 4.0 50.0 1.0 CG G:GLU23 4.1 40.7 1.0 CD1 G:4BF19 4.1 43.5 1.0 CD2 G:4BF19 4.1 39.8 1.0 CE2 A:4BF19 4.2 52.9 1.0 CA A:LYS22 4.3 36.8 1.0 O A:4BF19 4.3 37.8 1.0 CD G:GLU23 4.4 57.7 1.0 CB A:GLU23 4.4 43.5 1.0 OE1 G:GLU23 4.6 66.5 1.0 CD1 A:4BF19 4.6 47.7 1.0 CG G:4BF19 4.7 41.1 1.0 CD A:LYS22 4.8 54.7 1.0 CG A:LYS22 4.8 47.1 1.0 CD2 A:4BF19 4.9 45.5 1.0 OE2 G:GLU23 4.9 56.2 1.0 CD A:GLU23 5.0 69.8 1.0

Bromine binding site 9 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ H:Br19 b:148.8 occ:1.00 BR H:4BF19 0.0 148.8 1.0 CZ H:4BF19 1.9 112.8 1.0 CE1 H:4BF19 2.8 97.1 1.0 CE2 H:4BF19 2.9 90.9 1.0 OE2 H:GLU23 3.9 80.6 1.0 CD H:GLU23 4.0 69.6 1.0 OE1 H:GLU23 4.1 73.9 1.0 CD1 H:4BF19 4.1 80.5 1.0 CD2 H:4BF19 4.2 71.1 1.0 CG H:GLU23 4.7 49.7 1.0 CG H:4BF19 4.7 63.0 1.0

Bromine binding site 10 out of 13 in the Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Two States of A De Novo Hexameric Coiled Coil Assembly Cc-TYPE2- (Laidge)4 within 5.0Å range: probe atom residue distance (Å) B Occ I:Br19 b:113.3 occ:1.00 BR I:4BF19 0.0 113.3 1.0 CZ I:4BF19 1.9 66.4 1.0 CE2 I:4BF19 2.8 45.3 1.0 CE1 I:4BF19 2.9 54.7 1.0 NZ I:LYS15 3.3 79.6 1.0 CE I:LYS15 3.6 76.3 1.0 CD2 I:4BF19 4.1 42.5 1.0 CD1 I:4BF19 4.2 45.1 1.0 CB I:LYS15 4.5 37.2 1.0 CG I:4BF19 4.7 39.0 1.0 CG I:LYS15 4.7 50.8 1.0 CD I:LYS15 4.7 67.4 1.0 O I:HOH111 4.7 60.0 1.0 O I:HOH109 4.8 40.0 1.0

W.M.Dawson, E.J.M.Lang, G.G.Rhys, K.L.Shelley, C.Williams, R.L.Brady, M.Crump, A.Mulholland, D.N.Woolfson. Dynamic Switching Between Multiple States of A De Novo Peptide Assembly. To Be Published.