Bromine in PDB 8gn1: Crystal Structure of Dbbq-Bound Photosystem II Complex

Enzymatic activity of Crystal Structure of Dbbq-Bound Photosystem II Complex

All present enzymatic activity of Crystal Structure of Dbbq-Bound Photosystem II Complex:
1.10.3.9;

Protein crystallography data

The structure of Crystal Structure of Dbbq-Bound Photosystem II Complex, PDB code: 8gn1 was solved by S.Kamada, Y.Nakajima, J.-R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.02 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 122.185, 228.462, 286.626, 90, 90, 90
R / Rfree (%) 15.7 / 19.1

Other elements in 8gn1:

The structure of Crystal Structure of Dbbq-Bound Photosystem II Complex also contains other interesting chemical elements:

Calcium (Ca) 7 atoms
Manganese (Mn) 8 atoms
Chlorine (Cl) 4 atoms
Iron (Fe) 6 atoms
Magnesium (Mg) 72 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Dbbq-Bound Photosystem II Complex (pdb code 8gn1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Crystal Structure of Dbbq-Bound Photosystem II Complex, PDB code: 8gn1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 8gn1

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Bromine binding site 1 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br418

b:105.1
occ:0.55
BR A:K2I418 0.0 105.1 0.6
C4 A:K2I418 1.9 98.6 0.6
C3 A:K2I418 2.8 102.1 0.6
C5 A:K2I418 2.9 94.9 0.6
C3 A:K2I418 2.9 97.1 0.5
O1 A:K2I418 3.1 94.1 0.6
BR A:K2I418 3.3 112.4 0.5
C4 A:K2I418 3.6 100.0 0.5
CD1 A:LEU271 3.9 56.7 1.0
C2 A:K2I418 4.0 93.0 0.5
C2 A:K2I418 4.2 100.9 0.6
C8 A:PL9417 4.2 96.6 1.0
O A:K2I418 4.2 90.3 0.5
CG A:MET214 4.2 63.2 1.0
C A:K2I418 4.2 94.0 0.6
CD1 A:PHE211 4.4 50.5 1.0
CB A:MET214 4.6 48.5 1.0
CD2 A:PHE265 4.6 65.4 1.0
CD2 A:LEU275 4.7 39.8 1.0
C1 A:K2I418 4.7 96.1 0.6
CE2 A:PHE265 4.8 63.5 1.0
CE2 A:PHE274 4.9 56.6 1.0
CD2 A:PHE274 4.9 48.0 1.0
CB A:PHE211 5.0 43.2 1.0
CG A:PHE211 5.0 44.7 1.0

Bromine binding site 2 out of 12 in 8gn1

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Bromine binding site 2 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br418

b:112.4
occ:0.45
BR A:K2I418 0.0 112.4 0.5
C3 A:K2I418 1.2 102.1 0.6
C4 A:K2I418 1.9 100.0 0.5
C2 A:K2I418 2.0 100.9 0.6
O A:K2I418 2.2 99.8 0.6
C4 A:K2I418 2.4 98.6 0.6
C3 A:K2I418 2.8 97.1 0.5
C5 A:K2I418 2.9 98.3 0.5
O1 A:K2I418 3.1 100.9 0.5
CD2 A:PHE255 3.2 71.6 1.0
CE2 A:PHE255 3.3 78.0 1.0
BR A:K2I418 3.3 105.1 0.6
C1 A:K2I418 3.4 96.1 0.6
N A:PHE265 3.5 64.7 1.0
CD2 A:PHE265 3.5 65.4 1.0
C5 A:K2I418 3.6 94.9 0.6
OG A:SER264 3.9 60.1 1.0
CA A:SER264 4.0 66.3 1.0
C A:K2I418 4.0 94.0 0.6
C8 A:PL9417 4.1 96.6 1.0
C2 A:K2I418 4.1 93.0 0.5
CB A:PHE265 4.2 71.6 1.0
C A:K2I418 4.2 95.2 0.5
C A:SER264 4.2 67.2 1.0
CG A:PHE265 4.3 69.2 1.0
CG A:PHE255 4.4 69.0 1.0
CA A:PHE265 4.4 68.8 1.0
CE2 A:PHE265 4.4 63.5 1.0
CB A:SER264 4.4 62.1 1.0
CZ A:PHE255 4.4 77.1 1.0
O A:ALA263 4.6 75.3 1.0
O1 A:K2I418 4.7 94.1 0.6
C1 A:K2I418 4.7 91.2 0.5
CD1 A:LEU271 4.7 56.7 1.0
CD1 A:LEU218 4.8 45.3 1.0
O A:PHE265 4.9 70.5 1.0
BR1 A:K2I418 4.9 95.5 0.6

Bromine binding site 3 out of 12 in 8gn1

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Bromine binding site 3 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br418

b:95.5
occ:0.55
BR1 A:K2I418 0.0 95.5 0.6
C A:K2I418 0.8 95.2 0.5
C1 A:K2I418 1.9 96.1 0.6
C5 A:K2I418 1.9 98.3 0.5
C1 A:K2I418 2.0 91.2 0.5
O1 A:K2I418 2.4 100.9 0.5
C A:K2I418 2.9 94.0 0.6
C2 A:K2I418 2.9 100.9 0.6
BR1 A:K2I418 2.9 74.2 0.5
O A:K2I418 3.1 99.8 0.6
C4 A:K2I418 3.3 100.0 0.5
C2 A:K2I418 3.3 93.0 0.5
O A:PHE265 3.7 70.5 1.0
C3 A:K2I418 3.7 97.1 0.5
CB A:ALA251 3.7 55.1 1.0
N A:HIS252 3.8 54.0 1.0
C A:ALA251 4.0 62.7 1.0
CG1 A:ILE248 4.0 70.4 1.0
CA A:HIS252 4.1 57.6 1.0
C5 A:K2I418 4.1 94.9 0.6
C3 A:K2I418 4.2 102.1 0.6
O A:K2I418 4.3 90.3 0.5
O A:ALA251 4.3 54.5 1.0
CB A:HIS252 4.3 59.5 1.0
O A:ILE248 4.4 59.3 1.0
CA A:ALA251 4.5 62.0 1.0
CD1 A:ILE248 4.6 60.1 1.0
CD1 A:LEU218 4.6 45.3 1.0
CD2 A:LEU271 4.7 57.2 1.0
C4 A:K2I418 4.7 98.6 0.6
OG A:SER264 4.8 60.1 1.0
CB A:LEU218 4.8 48.3 1.0
C A:PHE265 4.8 67.3 1.0
BR A:K2I418 4.9 112.4 0.5

Bromine binding site 4 out of 12 in 8gn1

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Bromine binding site 4 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br418

b:74.2
occ:0.45
BR1 A:K2I418 0.0 74.2 0.5
C1 A:K2I418 1.9 91.2 0.5
C A:K2I418 2.8 94.0 0.6
C A:K2I418 2.9 95.2 0.5
C2 A:K2I418 2.9 93.0 0.5
BR1 A:K2I418 2.9 95.5 0.6
O A:K2I418 3.1 90.3 0.5
C1 A:K2I418 3.3 96.1 0.6
CG2 A:VAL219 3.7 51.2 1.0
CB A:LEU218 3.9 48.3 1.0
CE2 A:TYR246 3.9 58.5 1.0
CD2 A:LEU271 3.9 57.2 1.0
ND1 A:HIS215 4.0 48.6 1.0
C5 A:K2I418 4.0 94.9 0.6
CB A:ALA251 4.0 55.1 1.0
CE1 A:HIS215 4.1 48.1 1.0
C5 A:K2I418 4.1 98.3 0.5
C3 A:K2I418 4.2 97.1 0.5
N A:VAL219 4.2 50.2 1.0
O1 A:K2I418 4.3 94.1 0.6
OH A:TYR246 4.3 76.0 1.0
CG1 A:ILE248 4.3 70.4 1.0
C A:LEU218 4.4 51.0 1.0
CZ A:TYR246 4.5 70.0 1.0
CA A:VAL219 4.6 54.8 1.0
C4 A:K2I418 4.7 100.0 0.5
CD1 A:ILE248 4.7 60.1 1.0
CD2 A:TYR246 4.8 57.0 1.0
C2 A:K2I418 4.8 100.9 0.6
CB A:VAL219 4.8 53.7 1.0
CA A:LEU218 4.8 48.3 1.0
CD1 A:LEU218 4.9 45.3 1.0
O A:HIS215 4.9 45.5 1.0
O A:LEU218 4.9 46.2 1.0
CG A:LEU218 5.0 55.0 1.0

Bromine binding site 5 out of 12 in 8gn1

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Bromine binding site 5 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br419

b:52.8
occ:0.65
BR A:K2I419 0.0 52.8 0.7
C4 A:K2I419 1.9 47.0 0.7
C3 A:K2I419 2.9 53.4 0.7
C5 A:K2I419 2.9 52.0 0.7
O1 A:K2I419 3.0 52.6 0.7
O A:LEU200 3.2 44.1 1.0
N A:GLY204 3.6 40.7 1.0
CA A:GLY282 3.7 43.3 1.0
CB A:ALA203 3.8 43.1 1.0
CA A:GLY204 3.9 41.1 1.0
C A:ALA203 4.0 41.1 1.0
C A:LEU200 4.1 45.0 1.0
CZ2 A:TRP278 4.1 45.9 1.0
C2 A:K2I419 4.1 52.6 0.7
CE2 A:TRP278 4.2 45.2 1.0
CD2 A:LEU200 4.2 42.2 1.0
C A:K2I419 4.2 50.9 0.7
N A:GLY282 4.2 39.5 1.0
CA A:LEU200 4.3 44.4 1.0
NE1 A:TRP278 4.3 43.2 1.0
CB A:LEU200 4.4 42.9 1.0
O A:TRP278 4.4 44.4 1.0
CA A:ALA203 4.5 44.6 1.0
O A:ALA203 4.5 38.6 1.0
CH2 A:TRP278 4.7 48.9 1.0
C1 A:K2I419 4.7 58.6 0.7
CD2 A:TRP278 4.7 47.7 1.0
CG A:LEU200 4.9 47.8 1.0
CD1 A:TRP278 5.0 43.5 1.0

Bromine binding site 6 out of 12 in 8gn1

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Bromine binding site 6 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br419

b:64.9
occ:0.65
BR1 A:K2I419 0.0 64.9 0.7
C1 A:K2I419 1.9 58.6 0.7
C2 A:K2I419 2.9 52.6 0.7
C A:K2I419 2.9 50.9 0.7
O A:K2I419 2.9 43.8 0.7
C22 D:LHG411 3.5 75.3 1.0
C33 C:UNL501 3.8 119.6 1.0
C19 D:LHG411 4.0 75.3 1.0
C18 D:LHG411 4.1 80.7 1.0
C34 C:UNL501 4.1 125.5 1.0
C5 A:K2I419 4.2 52.0 0.7
C3 A:K2I419 4.2 53.4 0.7
C20 D:LHG411 4.2 72.7 1.0
C32 C:UNL501 4.2 113.1 1.0
C21 D:LHG411 4.4 72.9 1.0
CZ3 A:TRP278 4.6 54.9 1.0
C4 A:K2I419 4.7 47.0 0.7
CE3 A:TRP278 4.7 49.4 1.0
C31 C:UNL501 4.8 106.7 1.0
C15 A:SQD411 4.9 98.0 1.0

Bromine binding site 7 out of 12 in 8gn1

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Bromine binding site 7 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Br2118

b:114.3
occ:0.55
BR a:K2I2118 0.0 114.3 0.6
C4 a:K2I2118 1.9 108.6 0.6
BR a:K2I2118 2.1 112.7 0.5
C3 a:K2I2118 2.6 105.6 0.5
C4 a:K2I2118 2.8 107.4 0.5
C3 a:K2I2118 2.9 108.4 0.6
C5 a:K2I2118 2.9 104.7 0.6
O1 a:K2I2118 3.1 103.6 0.6
C2 a:K2I2118 3.9 103.2 0.5
CG a:MET214 3.9 62.2 1.0
CD1 a:LEU271 4.1 57.8 1.0
C2 a:K2I2118 4.2 107.0 0.6
C a:K2I2118 4.2 105.2 0.6
C5 a:K2I2118 4.2 106.8 0.5
CB a:MET214 4.3 47.1 1.0
CD1 a:PHE211 4.4 52.4 1.0
O a:K2I2118 4.4 101.6 0.5
C8 x:PL9801 4.6 104.5 1.0
C1 a:K2I2118 4.7 106.6 0.6
CD2 a:LEU275 4.7 44.1 1.0
N a:HIS215 4.7 45.5 1.0
O a:PHE211 4.8 40.4 1.0
O1 a:K2I2118 4.9 107.0 0.5
CB a:PHE211 4.9 41.5 1.0
CD1 a:LEU218 5.0 59.8 1.0

Bromine binding site 8 out of 12 in 8gn1

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Bromine binding site 8 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Br2118

b:112.7
occ:0.45
BR a:K2I2118 0.0 112.7 0.5
C3 a:K2I2118 1.4 108.4 0.6
C4 a:K2I2118 1.8 108.6 0.6
C4 a:K2I2118 1.9 107.4 0.5
BR a:K2I2118 2.1 114.3 0.6
C2 a:K2I2118 2.7 107.0 0.6
C3 a:K2I2118 2.8 105.6 0.5
C5 a:K2I2118 3.0 106.8 0.5
O1 a:K2I2118 3.2 107.0 0.5
C5 a:K2I2118 3.2 104.7 0.6
O a:K2I2118 3.4 106.4 0.6
CE2 a:PHE255 3.6 80.4 1.0
CD2 a:PHE265 3.7 79.5 1.0
C8 x:PL9801 3.7 104.5 1.0
C1 a:K2I2118 3.8 106.6 0.6
C a:K2I2118 4.0 105.2 0.6
O1 a:K2I2118 4.1 103.6 0.6
CD2 a:PHE255 4.1 76.5 1.0
C2 a:K2I2118 4.1 103.2 0.5
CZ a:PHE255 4.2 72.5 1.0
CD1 a:LEU271 4.2 57.8 1.0
CE2 a:PHE265 4.2 74.6 1.0
C a:K2I2118 4.2 106.7 0.5
C1 a:K2I2118 4.7 101.6 0.5
N a:PHE265 4.7 87.7 1.0
CG a:PHE265 4.8 80.9 1.0
CB a:PHE265 4.9 82.3 1.0
C9 x:PL9801 4.9 110.6 1.0
CD1 a:LEU218 5.0 59.8 1.0

Bromine binding site 9 out of 12 in 8gn1

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Bromine binding site 9 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Br2118

b:111.9
occ:0.55
BR1 a:K2I2118 0.0 111.9 0.6
C a:K2I2118 1.5 106.7 0.5
C1 a:K2I2118 1.9 106.6 0.6
C1 a:K2I2118 2.2 101.6 0.5
C5 a:K2I2118 2.6 106.8 0.5
BR1 a:K2I2118 2.7 82.5 0.5
C a:K2I2118 2.9 105.2 0.6
C2 a:K2I2118 2.9 107.0 0.6
O1 a:K2I2118 3.1 107.0 0.5
O a:K2I2118 3.1 106.4 0.6
O a:PHE265 3.4 91.1 1.0
C2 a:K2I2118 3.7 103.2 0.5
N a:HIS252 3.8 74.3 1.0
C4 a:K2I2118 3.9 107.4 0.5
CA a:HIS252 4.0 70.8 1.0
CB a:ALA251 4.1 53.7 1.0
C a:ALA251 4.1 67.2 1.0
C5 a:K2I2118 4.1 104.7 0.6
C3 a:K2I2118 4.2 108.4 0.6
OG a:SER264 4.2 100.5 1.0
CB a:HIS252 4.3 80.3 1.0
C3 a:K2I2118 4.3 105.6 0.5
CG1 a:ILE248 4.3 73.7 1.0
O a:ALA251 4.4 62.0 1.0
CD1 a:LEU218 4.4 59.8 1.0
O a:K2I2118 4.6 101.6 0.5
O a:ILE248 4.6 68.9 1.0
C a:PHE265 4.6 92.7 1.0
CD2 a:LEU271 4.7 55.9 1.0
C4 a:K2I2118 4.7 108.6 0.6
CA a:ALA251 4.8 62.7 1.0
CD1 a:ILE248 4.9 79.2 1.0

Bromine binding site 10 out of 12 in 8gn1

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Bromine binding site 10 out of 12 in the Crystal Structure of Dbbq-Bound Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Dbbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Br2118

b:82.5
occ:0.45
BR1 a:K2I2118 0.0 82.5 0.5
C1 a:K2I2118 1.9 101.6 0.5
C a:K2I2118 2.6 105.2 0.6
BR1 a:K2I2118 2.7 111.9 0.6
C a:K2I2118 2.9 106.7 0.5
C2 a:K2I2118 2.9 103.2 0.5
O a:K2I2118 3.0 101.6 0.5
C1 a:K2I2118 3.1 106.6 0.6
C5 a:K2I2118 3.8 104.7 0.6
CB a:ALA251 3.9 53.7 1.0
CB a:LEU218 3.9 46.8 1.0
CD2 a:LEU271 4.0 55.9 1.0
CG2 a:VAL219 4.1 45.5 1.0
CE2 a:TYR246 4.2 68.0 1.0
C5 a:K2I2118 4.2 106.8 0.5
O1 a:K2I2118 4.2 103.6 0.6
C3 a:K2I2118 4.2 105.6 0.5
CG1 a:ILE248 4.3 73.7 1.0
ND1 a:HIS215 4.3 45.8 1.0
CE1 a:HIS215 4.5 45.9 1.0
OH a:TYR246 4.5 84.1 1.0
N a:VAL219 4.5 45.7 1.0
CD1 a:LEU218 4.5 59.8 1.0
C2 a:K2I2118 4.5 107.0 0.6
C a:LEU218 4.6 44.9 1.0
C4 a:K2I2118 4.7 107.4 0.5
CD1 a:ILE248 4.7 79.2 1.0
CZ a:TYR246 4.7 73.2 1.0
CG a:LEU218 4.9 58.3 1.0
CA a:LEU218 4.9 44.1 1.0
CA a:VAL219 4.9 48.0 1.0

Reference:

S.Kamada, Y.Nakajima, J.R.Shen. Structural Insights Into the Action Mechanisms of Artificial Electron Acceptors in Photosystem II. J.Biol.Chem. V. 299 04839 2023.
ISSN: ESSN 1083-351X
PubMed: 37209822
DOI: 10.1016/J.JBC.2023.104839
Page generated: Wed Jul 26 11:56:34 2023

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