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Bromine in PDB 7qwe: Cc-TYPE2-(Ug)4

Protein crystallography data

The structure of Cc-TYPE2-(Ug)4, PDB code: 7qwe was solved by F.J.O.Martin, F.Zieleniewski, W.M.Dawson, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.42 / 1.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.871, 58.49, 110.765, 90, 90, 90
R / Rfree (%) 20.5 / 23.7

Bromine Binding Sites:

The binding sites of Bromine atom in the Cc-TYPE2-(Ug)4 (pdb code 7qwe). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Cc-TYPE2-(Ug)4, PDB code: 7qwe:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 7qwe

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Bromine binding site 1 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br19

b:31.2
occ:1.00
 BR A:4BF19 0.0 31.2 1.0
CZ A:4BF19 1.9 26.2 1.0
CE1 A:4BF19 2.8 27.0 1.0
CE2 A:4BF19 2.8 24.2 1.0
CB1 C:AIB20 3.4 20.3 1.0
CE1 C:4BF19 3.8 25.6 1.0
BR C:4BF19 4.0 33.8 1.0
CG C:GLU23 4.0 25.9 1.0
CD1 A:4BF19 4.1 24.4 1.0
CZ C:4BF19 4.1 28.6 1.0
CD2 A:4BF19 4.1 22.2 1.0
CB C:GLU23 4.3 24.0 1.0
CG A:4BF19 4.6 21.8 1.0
CD1 C:4BF19 4.6 23.9 1.0
CA C:AIB20 4.9 19.3 1.0
CD C:GLU23 4.9 29.4 1.0

Bromine binding site 2 out of 10 in 7qwe

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Bromine binding site 2 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br19

b:51.2
occ:1.00
 BR B:4BF19 0.0 51.2 1.0
CZ B:4BF19 1.9 37.8 1.0
CE1 B:4BF19 2.8 33.4 1.0
CE2 B:4BF19 2.8 35.8 1.0
OE2 B:GLU23 3.8 34.8 1.0
CD B:GLU23 3.9 29.4 1.0
CD1 B:4BF19 4.1 29.5 1.0
CG B:GLU23 4.1 24.8 1.0
CD2 B:4BF19 4.1 31.4 1.0
OE1 B:GLU23 4.3 31.6 1.0
CG B:4BF19 4.7 27.0 1.0

Bromine binding site 3 out of 10 in 7qwe

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Bromine binding site 3 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br19

b:33.8
occ:1.00
 BR C:4BF19 0.0 33.8 1.0
CZ C:4BF19 1.9 28.6 1.0
CE2 C:4BF19 2.8 29.9 1.0
CE1 C:4BF19 2.8 25.6 1.0
CG A:GLU23 3.6 25.1 1.0
CD A:LYS22 3.7 31.2 1.0
CG A:LYS22 3.7 27.7 1.0
CZ A:4BF19 3.7 26.2 1.0
CE1 A:4BF19 3.9 27.0 1.0
CB A:LYS22 4.0 23.4 1.0
BR A:4BF19 4.0 31.2 1.0
N A:GLU23 4.1 20.7 1.0
CD2 C:4BF19 4.1 26.9 1.0
CD1 C:4BF19 4.1 23.9 1.0
CE2 A:4BF19 4.2 24.2 1.0
CD C:GLU23 4.2 29.4 1.0
CG C:GLU23 4.3 25.9 1.0
C A:LYS22 4.3 21.9 1.0
OE2 C:GLU23 4.3 32.2 1.0
CA A:GLU23 4.4 22.0 1.0
O A:4BF19 4.4 19.0 1.0
CE A:LYS22 4.4 35.4 1.0
CD1 A:4BF19 4.5 24.4 1.0
CB A:GLU23 4.6 23.6 1.0
OE1 C:GLU23 4.6 31.6 1.0
OE1 A:GLN26 4.6 36.7 1.0
CG C:4BF19 4.6 24.4 1.0
CD A:GLU23 4.7 26.9 1.0
CD2 A:4BF19 4.7 22.2 1.0
O A:LYS22 4.7 23.0 1.0
CA A:LYS22 4.8 20.8 1.0
CG A:4BF19 4.8 21.8 1.0

Bromine binding site 4 out of 10 in 7qwe

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Bromine binding site 4 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br19

b:37.7
occ:1.00
 BR D:4BF19 0.0 37.7 1.0
CZ D:4BF19 1.9 29.4 1.0
CE2 D:4BF19 2.8 28.3 1.0
CE1 D:4BF19 2.8 28.0 1.0
C E:ALA18 3.7 24.0 1.0
CB E:ALA18 3.7 24.2 1.0
O E:ALA18 3.7 25.5 1.0
OE2 D:GLU23 3.7 35.3 1.0
CE1 E:4BF19 3.8 30.3 1.0
CD D:GLU23 3.8 31.6 1.0
CD1 E:4BF19 3.9 27.5 1.0
N E:4BF19 3.9 23.7 1.0
O E:HOH105 3.9 32.1 1.0
CZ E:4BF19 4.1 32.5 1.0
CG E:4BF19 4.1 27.4 1.0
CD2 D:4BF19 4.1 24.8 1.0
CD1 D:4BF19 4.1 24.1 1.0
CA E:4BF19 4.1 25.1 1.0
CD2 E:4BF19 4.2 29.2 1.0
CG D:GLU23 4.2 27.0 1.0
CA E:ALA18 4.2 23.2 1.0
CE2 E:4BF19 4.2 31.8 1.0
OE1 D:GLU23 4.3 35.3 1.0
CB E:LYS22 4.6 32.5 1.0
CG D:4BF19 4.6 23.8 1.0
CB E:4BF19 4.8 25.5 1.0
CD E:LYS22 4.9 38.2 1.0
BR E:4BF19 5.0 39.2 1.0

Bromine binding site 5 out of 10 in 7qwe

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Bromine binding site 5 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br19

b:39.2
occ:1.00
 BR E:4BF19 0.0 39.2 1.0
CZ E:4BF19 1.9 32.5 1.0
CE2 E:4BF19 2.8 31.8 1.0
CE1 E:4BF19 2.8 30.3 1.0
CD1 A:LEU28 3.5 28.6 1.0
CB A:LEU28 3.8 30.3 1.0
CB1 D:AIB20 3.8 22.7 1.0
CA A:ALA25 3.9 24.8 1.0
CG D:GLU23 4.0 27.0 1.0
CE1 D:4BF19 4.0 28.0 1.0
CD2 E:4BF19 4.1 29.2 1.0
CD1 E:4BF19 4.1 27.5 1.0
CB D:GLU23 4.2 25.2 1.0
O A:ALA25 4.3 29.0 1.0
CG A:LEU28 4.3 29.4 1.0
CB A:ALA25 4.3 26.3 1.0
C A:ALA25 4.6 26.9 1.0
CG E:4BF19 4.7 27.4 1.0
CD1 D:4BF19 4.7 24.1 1.0
N A:ALA25 4.8 23.1 1.0
CZ D:4BF19 4.9 29.4 1.0
CD D:GLU23 4.9 31.6 1.0
O A:ILE24 4.9 23.7 1.0
BR D:4BF19 5.0 37.7 1.0

Bromine binding site 6 out of 10 in 7qwe

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Bromine binding site 6 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br19

b:36.5
occ:1.00
 BR F:4BF19 0.0 36.5 1.0
CZ F:4BF19 1.9 27.8 1.0
CE2 F:4BF19 2.8 26.2 1.0
CE1 F:4BF19 2.8 26.7 1.0
CD2 F:4BF19 4.1 23.8 1.0
CD1 F:4BF19 4.1 23.8 1.0
CG F:4BF19 4.6 22.9 1.0

Bromine binding site 7 out of 10 in 7qwe

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Bromine binding site 7 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br19

b:35.7
occ:1.00
 BR G:4BF19 0.0 35.7 1.0
CZ G:4BF19 1.9 29.8 1.0
CE2 G:4BF19 2.8 28.5 1.0
CE1 G:4BF19 2.8 28.7 1.0
OE2 G:GLU23 3.6 35.7 1.0
CD G:GLU23 3.8 31.7 1.0
CD2 G:4BF19 4.1 27.0 1.0
CD1 G:4BF19 4.1 25.8 1.0
CG G:GLU23 4.2 28.8 1.0
OE1 G:GLU23 4.3 35.9 1.0
CG G:4BF19 4.6 25.2 1.0

Bromine binding site 8 out of 10 in 7qwe

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Bromine binding site 8 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br19

b:44.5
occ:1.00
 BR H:4BF19 0.0 44.5 1.0
CZ H:4BF19 1.9 33.0 1.0
CE2 H:4BF19 2.8 31.8 1.0
CE1 H:4BF19 2.8 30.5 1.0
OE2 H:GLU23 3.7 32.5 1.0
CD H:GLU23 3.8 28.3 1.0
O H:HOH101 4.0 38.4 1.0
CD1 H:4BF19 4.1 27.0 1.0
CD2 H:4BF19 4.1 29.3 1.0
CG H:GLU23 4.2 25.2 1.0
OE1 H:GLU23 4.3 30.9 1.0
CG H:4BF19 4.6 26.0 1.0

Bromine binding site 9 out of 10 in 7qwe

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Bromine binding site 9 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br19

b:61.5
occ:1.00
 BR I:4BF19 0.0 61.5 1.0
CZ I:4BF19 1.9 48.4 1.0
CE2 I:4BF19 2.8 46.0 1.0
CE1 I:4BF19 2.8 42.0 1.0
OE2 I:GLU23 3.8 40.8 1.0
CD I:GLU23 3.9 36.2 1.0
CD2 I:4BF19 4.1 40.0 1.0
CD1 I:4BF19 4.1 36.5 1.0
CG I:GLU23 4.2 31.1 1.0
OE1 I:GLU23 4.3 40.4 1.0
CG I:4BF19 4.7 35.2 1.0

Bromine binding site 10 out of 10 in 7qwe

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Bromine binding site 10 out of 10 in the Cc-TYPE2-(Ug)4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Cc-TYPE2-(Ug)4 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Br19

b:34.5
occ:1.00
 BR J:4BF19 0.0 34.5 1.0
CZ J:4BF19 1.9 26.0 1.0
CE2 J:4BF19 2.8 24.0 1.0
CE1 J:4BF19 2.8 24.5 1.0
CD2 J:4BF19 4.1 22.3 1.0
CD1 J:4BF19 4.1 21.9 1.0
CG J:4BF19 4.7 19.8 1.0
OE2 J:GLU23 4.9 27.7 1.0
CD J:GLU23 4.9 25.7 1.0
CG J:GLU23 5.0 22.0 1.0

Reference:

F.J.O.Martin, F.Zieleniewski, W.M.Dawson, D.N.Woolfson. Cc-TYPE2-(Ug)4 To Be Published.
Page generated: Thu Jul 11 04:28:58 2024

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