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

Protein crystallography data

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

Other elements in 7qdk:

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

Sodium (Na) 3 atoms

Bromine Binding Sites:

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 7qdk

Go back to Bromine Binding Sites List in 7qdk
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 7qdk

Go back to Bromine Binding Sites List in 7qdk
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 7qdk

Go back to Bromine Binding Sites List in 7qdk
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

Reference:

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
Page generated: Tue Apr 4 17:34:35 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy