Atomistry » Bromine » PDB 7ale-7cpd » 7bav
Atomistry »
  Bromine »
    PDB 7ale-7cpd »
      7bav »

Bromine in PDB 7bav: A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.

Protein crystallography data

The structure of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE., PDB code: 7bav was solved by F.J.O.Martin, W.M.Dawson, K.Shelley, 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) 37.76 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.734, 51.831, 55.04, 90, 90, 90
R / Rfree (%) 18.6 / 21.4

Bromine Binding Sites:

The binding sites of Bromine atom in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. (pdb code 7bav). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE., PDB code: 7bav:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 7bav

Go back to Bromine Binding Sites List in 7bav
Bromine binding site 1 out of 5 in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br19

b:102.5
occ:1.00
BR A:4BF19 0.0 102.5 1.0
CZ A:4BF19 1.9 32.2 1.0
CE2 A:4BF19 2.8 54.8 1.0
CE1 A:4BF19 2.8 34.8 1.0
CD1 A:4BF19 4.1 29.0 1.0
CD2 A:4BF19 4.1 33.3 1.0
CG A:4BF19 4.6 27.0 1.0

Bromine binding site 2 out of 5 in 7bav

Go back to Bromine Binding Sites List in 7bav
Bromine binding site 2 out of 5 in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br19

b:37.8
occ:1.00
BR B:4BF19 0.0 37.8 1.0
CZ B:4BF19 1.9 19.4 1.0
CE1 B:4BF19 2.7 25.5 1.0
CE2 B:4BF19 2.9 24.9 1.0
CD1 B:4BF19 4.0 23.1 1.0
CG B:GLU23 4.1 20.7 1.0
CD B:GLU23 4.1 33.9 1.0
CD2 B:4BF19 4.1 19.1 1.0
OE1 B:GLU23 4.4 37.2 1.0
OE2 B:GLU23 4.4 41.0 1.0
CG B:4BF19 4.6 16.5 1.0
NZ E:LYS22 4.9 38.9 1.0

Bromine binding site 3 out of 5 in 7bav

Go back to Bromine Binding Sites List in 7bav
Bromine binding site 3 out of 5 in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br19

b:42.0
occ:1.00
BR C:4BF19 0.0 42.0 1.0
CZ C:4BF19 1.9 20.6 1.0
CE1 C:4BF19 2.8 33.2 1.0
CE2 C:4BF19 2.9 31.5 1.0
OE2 C:GLU23 3.9 33.5 1.0
CD1 C:4BF19 4.1 30.1 1.0
CD2 C:4BF19 4.2 22.6 1.0
CG C:GLU23 4.3 20.7 1.0
CD C:GLU23 4.5 32.7 1.0
CG C:4BF19 4.7 19.8 1.0

Bromine binding site 4 out of 5 in 7bav

Go back to Bromine Binding Sites List in 7bav
Bromine binding site 4 out of 5 in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br19

b:31.4
occ:1.00
BR D:4BF19 0.0 31.4 1.0
CZ D:4BF19 1.9 20.8 1.0
CE2 D:4BF19 2.9 33.2 1.0
CE1 D:4BF19 2.9 21.1 1.0
OE2 D:GLU23 4.1 36.0 1.0
CD2 D:4BF19 4.2 24.0 1.0
CD1 D:4BF19 4.2 22.1 1.0
CG D:4BF19 4.7 17.7 1.0
CD D:GLU23 4.9 30.9 1.0
CG D:GLU23 4.9 22.8 1.0

Bromine binding site 5 out of 5 in 7bav

Go back to Bromine Binding Sites List in 7bav
Bromine binding site 5 out of 5 in the A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of A De Novo Pentameric Coiled-Coil Assembly: Cc-TYPE2-(Tglaid)4- W19BRPHE. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br19

b:54.0
occ:1.00
BR E:4BF19 0.0 54.0 1.0
CZ E:4BF19 1.9 22.0 1.0
CE1 E:4BF19 2.8 25.6 1.0
CE2 E:4BF19 2.9 34.2 1.0
OE2 E:GLU23 3.9 48.9 1.0
CD1 E:4BF19 4.1 24.0 1.0
CD2 E:4BF19 4.2 25.6 1.0
CD E:GLU23 4.5 46.6 1.0
CG E:GLU23 4.6 23.9 1.0
CG E:4BF19 4.7 22.3 1.0

Reference:

W.M.Dawson, F.J.Martin, G.R.Rhys, K.L.Shelley, R.L.Brady, D.Woolfson. Coiled Coils 9-to-5: Rational De Novo Design of Alpha-Helical Barrels with Tunable Oligomeric States Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D1SC00460C
Page generated: Mon Jul 7 11:03:29 2025

Last articles

Ca in 3AHW
Ca in 3AFG
Ca in 3AGV
Ca in 3AGO
Ca in 3AGP
Ca in 3ACO
Ca in 3AGN
Ca in 3ACH
Ca in 3ACI
Ca in 3AAV
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy