Bromine in PDB 7qdk: A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald

The structure of A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald, PDB code: 7qdk was solved by P.Kumar, N.G.Paterson, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.25 / 1.41
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	22.22, 22.22, 128.32, 90, 90, 120
R / Rfree (%)	13.9 / 17.7

The structure of A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Bromine atom in the A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald (pdb code 7qdk). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald, PDB code: 7qdk:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald within 5.0Å range: probe atom residue distance (Å) B Occ A:Br29 b:17.8 occ:0.85 BR A:4BF29 0.0 17.8 0.8 CZ A:4BF29 1.9 16.0 1.0 CE2 A:4BF29 2.8 17.5 1.0 CE1 A:4BF29 2.8 16.4 1.0 O2 A:MPD102 4.0 32.8 1.0 CD2 A:4BF29 4.1 16.6 1.0 CD1 A:4BF29 4.1 16.6 1.0 CB A:ALA25 4.2 15.3 1.0 C3 A:MPD102 4.2 30.8 1.0 O4 A:MPD102 4.3 33.8 1.0 C2 A:MPD102 4.5 29.4 1.0 C1 A:MPD102 4.5 32.0 1.0 CG A:4BF29 4.6 16.7 1.0 C4 A:MPD102 4.8 31.6 1.0

Bromine binding site 2 out of 3 in the A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald within 5.0Å range: probe atom residue distance (Å) B Occ B:Br29 b:18.8 occ:0.68 BR B:4BF29 0.0 18.8 0.7 CZ B:4BF29 1.9 17.4 1.0 CE1 B:4BF29 2.8 18.6 1.0 CE2 B:4BF29 2.8 17.2 1.0 O B:HOH206 3.6 29.2 1.0 CE B:LYS28 3.9 19.6 1.0 NZ B:LYS28 3.9 20.2 1.0 CD1 B:4BF29 4.1 17.6 1.0 CD2 B:4BF29 4.1 15.9 1.0 CD B:LYS28 4.6 17.5 1.0 O C:HOH130 4.6 24.5 1.0 CG B:4BF29 4.7 15.8 1.0

Bromine binding site 3 out of 3 in the A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of A Trimeric De Novo Coiled-Coil Assembly: Cc-Typen-Lald within 5.0Å range: probe atom residue distance (Å) B Occ C:Br29 b:21.9 occ:0.82 BR C:4BF29 0.0 21.9 0.8 CZ C:4BF29 1.9 20.8 1.0 CE2 C:4BF29 2.8 20.9 1.0 CE1 C:4BF29 2.9 22.7 1.0 CB C:ALA25 3.8 16.8 1.0 CD2 C:4BF29 4.1 21.2 1.0 CD1 C:4BF29 4.1 21.7 1.0 CG C:4BF29 4.7 20.3 1.0 CA C:ALA25 4.8 16.2 1.0

P.Kumar, N.G.Paterson, J.Clayden, D.N.Woolfson. De Novo Design of Discrete, Stable 3 10 -Helix Peptide Assemblies. Nature V. 607 387 2022.
ISSN: ESSN 1476-4687
PubMed: 35732733
DOI: 10.1038/S41586-022-04868-X