Bromine in PDB 7nfp: A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K

The structure of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K, PDB code: 7nfp was solved by A.J.Burton, G.G.Rhys, W.M.Dawson, 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)	44.67 / 1.43
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.18, 130.72, 61.18, 90, 90, 90
R / Rfree (%)	15.6 / 18.7

The binding sites of Bromine atom in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K (pdb code 7nfp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K, PDB code: 7nfp:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ A:Br20 b:25.7 occ:0.22 BR A:4BF20 0.0 25.7 0.2 CZ A:4BF20 1.9 24.7 1.0 CE1 A:4BF20 2.8 24.7 1.0 CE2 A:4BF20 2.9 23.0 1.0 CD1 A:4BF20 4.1 22.4 1.0 CD2 A:4BF20 4.2 20.9 1.0 O A:HOH226 4.6 24.9 1.0 CG A:4BF20 4.7 18.5 1.0 O A:HOH243 4.7 38.5 1.0 O A:HOH225 4.9 26.2 1.0

Bromine binding site 2 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ B:Br20 b:25.6 occ:0.32 BR B:4BF20 0.0 25.6 0.3 CZ B:4BF20 1.9 22.3 1.0 CE2 B:4BF20 2.8 19.4 1.0 CE1 B:4BF20 2.8 22.5 1.0 OE2 B:GLU24 3.7 27.1 1.0 NH2 E:ARG23 3.9 24.6 1.0 CD2 B:4BF20 4.1 16.9 1.0 CD1 B:4BF20 4.1 19.7 1.0 CZ E:ARG23 4.5 22.9 1.0 CD B:GLU24 4.5 24.2 1.0 O E:HOH125 4.6 49.2 1.0 CG B:4BF20 4.7 15.2 1.0

Bromine binding site 3 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ C:Br20 b:16.0 occ:0.58 BR C:4BF20 0.0 16.0 0.6 CZ C:4BF20 1.9 14.4 1.0 CE2 C:4BF20 2.8 14.7 1.0 CE1 C:4BF20 2.8 15.2 1.0 CD2 C:4BF20 4.1 14.1 1.0 CD1 C:4BF20 4.1 14.1 1.0 NH2 A:ARG23 4.4 15.9 1.0 CG C:4BF20 4.7 13.4 1.0 CZ A:ARG23 5.0 14.4 1.0

Bromine binding site 4 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ D:Br20 b:24.1 occ:0.32 BR D:4BF20 0.0 24.1 0.3 CZ D:4BF20 1.9 22.0 1.0 CE2 D:4BF20 2.8 21.1 1.0 CE1 D:4BF20 2.8 21.9 1.0 OE2 D:GLU24 3.8 30.2 1.0 CD D:GLU24 3.8 27.7 1.0 O C:HOH127 3.9 36.0 1.0 O D:HOH102 3.9 56.5 1.0 CG D:GLU24 4.1 21.5 1.0 CD2 D:4BF20 4.1 19.4 1.0 CD1 D:4BF20 4.1 20.9 1.0 O D:HOH131 4.2 31.1 1.0 OE1 D:GLU24 4.2 31.3 1.0 CG D:4BF20 4.7 16.9 1.0

Bromine binding site 5 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ E:Br20 b:16.3 occ:0.56 BR E:4BF20 0.0 16.3 0.6 CZ E:4BF20 1.9 15.8 1.0 CE1 E:4BF20 2.8 16.8 1.0 CE2 E:4BF20 2.8 15.5 1.0 OE2 E:GLU24 3.6 16.6 1.0 CD E:GLU24 3.8 15.8 1.0 CG E:GLU24 3.9 13.5 1.0 CD1 E:4BF20 4.1 16.1 1.0 CD2 E:4BF20 4.1 16.3 1.0 OE1 E:GLU24 4.4 15.1 1.0 CG E:4BF20 4.7 15.2 1.0

Bromine binding site 6 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ F:Br20 b:27.6 occ:0.42 BR F:4BF20 0.0 27.6 0.4 CZ F:4BF20 1.9 24.7 1.0 CE1 F:4BF20 2.8 24.4 1.0 CE2 F:4BF20 2.9 23.4 1.0 CD1 F:4BF20 4.1 22.4 1.0 CD2 F:4BF20 4.2 21.4 1.0 CG F:4BF20 4.7 18.0 1.0

Bromine binding site 7 out of 7 in the A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of A Heptameric Barrel State of A De Novo Coiled-Coil Assembly: Cc-TYPE2- (Laid)4-I17K within 5.0Å range: probe atom residue distance (Å) B Occ G:Br20 b:13.3 occ:0.51 BR G:4BF20 0.0 13.3 0.5 CZ G:4BF20 1.9 14.7 1.0 CE1 G:4BF20 2.8 16.0 1.0 CE2 G:4BF20 2.9 15.7 1.0 CD G:GLU24 3.7 16.7 1.0 CG G:GLU24 3.7 15.1 1.0 OE1 G:GLU24 3.7 18.7 1.0 CD1 G:4BF20 4.1 14.9 1.0 CD2 G:4BF20 4.2 15.8 1.0 OE2 G:GLU24 4.2 15.5 1.0 CG G:4BF20 4.7 14.0 1.0 CB G:GLU24 4.9 13.2 1.0

W.M.Dawson, K.L.Shelley, J.M.Fletcher, G.G.Rhys, L.Lombardi, D.A.Scott, A.J.Burton, J.A.Cross, G.Davies, F.J.O.Martin, F.J.Wiseman, D.Tew, R.L.Brady, C.W.Wood, D.N.Woolfson. Biosensing Using Arrays of De Novo Designed Proteins To Be Published.