Bromine in PDB 6otl: Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde

The structure of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde, PDB code: 6otl was solved by D.N.Jones, E.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.59
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.760, 87.760, 59.630, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 20.9

The structure of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde also contains other interesting chemical elements:

Tantalum

(Ta)

6 atoms

Pages:

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

Binding sites:

The binding sites of Bromine atom in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde (pdb code 6otl). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde, PDB code: 6otl:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:65.8 occ:0.64 BR1 A:TBR201 0.0 65.8 0.6 TA2 A:TBR201 2.6 68.3 0.8 TA1 A:TBR201 2.6 68.3 0.7 BR5 A:TBR201 3.6 70.5 0.7 BR2 A:TBR201 3.6 67.5 0.7 BR4 A:TBR201 3.8 64.7 0.6 BRC A:TBR201 3.8 61.9 0.6 CG1 A:VAL89 4.2 39.8 1.0 TA3 A:TBR201 4.2 78.7 0.8 TA6 A:TBR201 4.2 76.9 0.8 CD2 A:LEU86 4.8 47.4 1.0 CB A:VAL89 4.9 43.4 1.0

Bromine binding site 2 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:67.5 occ:0.68 BR2 A:TBR201 0.0 67.5 0.7 TA1 A:TBR201 2.6 68.3 0.7 TA3 A:TBR201 2.6 78.7 0.8 BR5 A:TBR201 3.6 70.5 0.7 BR1 A:TBR201 3.6 65.8 0.6 BR3 A:TBR201 3.7 69.3 0.6 BR6 A:TBR201 3.7 69.6 0.5 CA A:ASP90 3.7 42.3 1.0 N A:ASP90 4.0 45.0 1.0 CG1 A:VAL89 4.0 39.8 1.0 C A:ASP90 4.0 40.8 1.0 O A:VAL89 4.0 49.2 1.0 C A:VAL89 4.1 43.5 1.0 TA2 A:TBR201 4.2 68.3 0.8 TA5 A:TBR201 4.2 78.2 0.8 N A:LYS91 4.3 41.0 1.0 O A:ASP90 4.5 40.2 1.0 CB A:VAL89 4.8 43.4 1.0

Bromine binding site 3 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:69.3 occ:0.56 BR3 A:TBR201 0.0 69.3 0.6 TA1 A:TBR201 2.6 68.3 0.7 TA5 A:TBR201 2.6 78.2 0.8 BRB A:TBR201 3.5 73.1 0.6 BR4 A:TBR201 3.5 64.7 0.6 BR2 A:TBR201 3.7 67.5 0.7 BR6 A:TBR201 3.7 69.6 0.5 TA6 A:TBR201 4.1 76.9 0.8 TA3 A:TBR201 4.2 78.7 0.8 CB A:LYS91 4.6 43.3 1.0

Bromine binding site 4 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:64.7 occ:0.62 BR4 A:TBR201 0.0 64.7 0.6 TA6 A:TBR201 2.6 76.9 0.8 TA1 A:TBR201 2.6 68.3 0.7 BRB A:TBR201 3.5 73.1 0.6 BR3 A:TBR201 3.5 69.3 0.6 BR1 A:TBR201 3.8 65.8 0.6 BRC A:TBR201 3.9 61.9 0.6 TA5 A:TBR201 4.1 78.2 0.8 TA2 A:TBR201 4.2 68.3 0.8

Bromine binding site 5 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:70.5 occ:0.65 BR5 A:TBR201 0.0 70.5 0.7 TA3 A:TBR201 2.6 78.7 0.8 TA2 A:TBR201 2.6 68.3 0.8 BR9 A:TBR201 3.5 70.3 0.6 BR2 A:TBR201 3.6 67.5 0.7 BR1 A:TBR201 3.6 65.8 0.6 BRA A:TBR201 3.6 73.9 0.6 TA1 A:TBR201 4.2 68.3 0.7 TA4 A:TBR201 4.2 78.7 0.8 O A:VAL89 5.0 49.2 1.0

Bromine binding site 6 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:69.6 occ:0.53 BR6 A:TBR201 0.0 69.6 0.5 TA5 A:TBR201 2.6 78.2 0.8 TA3 A:TBR201 2.6 78.7 0.8 BRA A:TBR201 3.7 73.9 0.6 BR7 A:TBR201 3.7 74.3 0.5 BR2 A:TBR201 3.7 67.5 0.7 BR3 A:TBR201 3.7 69.3 0.6 TA4 A:TBR201 4.2 78.7 0.8 TA1 A:TBR201 4.2 68.3 0.7 O A:HOH304 4.3 45.5 1.0 CB A:LYS91 5.0 43.3 1.0

Bromine binding site 7 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:74.3 occ:0.49 BR7 A:TBR201 0.0 74.3 0.5 TA5 A:TBR201 2.6 78.2 0.8 TA4 A:TBR201 2.6 78.7 0.8 BR8 A:TBR201 3.6 72.4 0.5 BRB A:TBR201 3.6 73.1 0.6 BR6 A:TBR201 3.7 69.6 0.5 BRA A:TBR201 3.8 73.9 0.6 TA6 A:TBR201 4.1 76.9 0.8 TA3 A:TBR201 4.2 78.7 0.8

Bromine binding site 8 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:72.4 occ:0.53 BR8 A:TBR201 0.0 72.4 0.5 TA4 A:TBR201 2.6 78.7 0.8 TA6 A:TBR201 2.6 76.9 0.8 BRC A:TBR201 3.5 61.9 0.6 BR7 A:TBR201 3.6 74.3 0.5 BR9 A:TBR201 3.7 70.3 0.6 BRB A:TBR201 3.8 73.1 0.6 TA2 A:TBR201 4.2 68.3 0.8 TA5 A:TBR201 4.2 78.2 0.8

Bromine binding site 9 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:70.3 occ:0.61 BR9 A:TBR201 0.0 70.3 0.6 TA4 A:TBR201 2.6 78.7 0.8 TA2 A:TBR201 2.6 68.3 0.8 BRA A:TBR201 3.5 73.9 0.6 BR5 A:TBR201 3.5 70.5 0.7 BRC A:TBR201 3.6 61.9 0.6 BR8 A:TBR201 3.7 72.4 0.5 TA3 A:TBR201 4.1 78.7 0.8 TA6 A:TBR201 4.3 76.9 0.8

Bromine binding site 10 out of 12 in the Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:73.9 occ:0.60 BRA A:TBR201 0.0 73.9 0.6 TA4 A:TBR201 2.6 78.7 0.8 TA3 A:TBR201 2.6 78.7 0.8 BR9 A:TBR201 3.5 70.3 0.6 BR5 A:TBR201 3.6 70.5 0.7 BR6 A:TBR201 3.7 69.6 0.5 BR7 A:TBR201 3.8 74.3 0.5 TA2 A:TBR201 4.2 68.3 0.8 TA5 A:TBR201 4.2 78.2 0.8

D.N.Jones, E.Murphy. Structure of Aedes Aegypti OBP22 in the Complex with Benzaldehyde To Be Published.