Bromine in PDB 3rzs: Apis Mellifera OBP14 in Complex with TA6BR14

The structure of Apis Mellifera OBP14 in Complex with TA6BR14, PDB code: 3rzs was solved by S.Spinelli, A.Lagarde, I.Iovinella, M.Tegoni, P.Pelosi, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.06 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.260, 38.030, 86.810, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 22.4

The structure of Apis Mellifera OBP14 in Complex with TA6BR14 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 Apis Mellifera OBP14 in Complex with TA6BR14 (pdb code 3rzs). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Apis Mellifera OBP14 in Complex with TA6BR14, PDB code: 3rzs:
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 Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:28.5 occ:0.60 BR1 A:TBR120 0.0 28.5 0.6 TA1 A:TBR120 2.5 31.8 0.6 TA2 A:TBR120 2.7 34.7 0.6 NZ A:LYS69 3.2 53.6 1.0 CB A:VAL85 3.4 28.5 1.0 CG1 A:VAL85 3.5 28.7 1.0 BR4 A:TBR120 3.5 29.6 0.6 BRC A:TBR120 3.7 30.0 0.6 BR5 A:TBR120 3.7 31.1 0.6 BR2 A:TBR120 3.7 29.6 0.6 CG2 A:VAL85 3.8 27.9 1.0 CA A:LYS82 3.9 21.6 1.0 CE A:LYS69 4.0 48.8 1.0 O A:LYS82 4.0 24.1 1.0 TA6 A:TBR120 4.2 35.2 0.6 TA3 A:TBR120 4.2 34.5 0.6 CD A:LYS69 4.3 44.5 1.0 C A:LYS82 4.5 25.3 1.0 CB A:LYS82 4.5 24.2 1.0 CG A:LYS82 4.6 34.6 1.0 O A:VAL81 4.7 25.2 1.0 CA A:VAL85 4.7 24.7 1.0 CG A:LYS69 4.8 37.7 1.0 N A:LYS82 4.8 21.9 1.0

Bromine binding site 2 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:29.6 occ:0.60 BR2 A:TBR120 0.0 29.6 0.6 TA3 A:TBR120 2.5 34.5 0.6 TA1 A:TBR120 2.6 31.8 0.6 NZ A:LYS69 3.2 53.6 1.0 CB A:PRO65 3.4 40.9 1.0 BR6 A:TBR120 3.5 31.3 0.6 BR3 A:TBR120 3.5 28.7 0.6 CG1 A:VAL85 3.5 28.7 1.0 BR5 A:TBR120 3.6 31.1 0.6 BR1 A:TBR120 3.7 28.5 0.6 CE A:LYS69 3.8 48.8 1.0 TA5 A:TBR120 3.9 35.7 0.6 CG A:PRO65 3.9 45.4 1.0 TA2 A:TBR120 4.1 34.7 0.6 CB A:VAL85 4.7 28.5 1.0 CA A:PRO65 4.8 38.9 1.0

Bromine binding site 3 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:28.7 occ:0.60 BR3 A:TBR120 0.0 28.7 0.6 TA5 A:TBR120 2.6 35.7 0.6 TA1 A:TBR120 2.7 31.8 0.6 NZ A:LYS69 3.1 53.6 1.0 O A:HOH137 3.3 37.5 1.0 BR2 A:TBR120 3.5 29.6 0.6 BRB A:TBR120 3.6 32.3 0.6 BR6 A:TBR120 3.6 31.3 0.6 BR4 A:TBR120 3.7 29.6 0.6 TA3 A:TBR120 4.2 34.5 0.6 TA6 A:TBR120 4.2 35.2 0.6 CE A:LYS69 4.3 48.8 1.0

Bromine binding site 4 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:29.6 occ:0.60 BR4 A:TBR120 0.0 29.6 0.6 TA1 A:TBR120 2.6 31.8 0.6 TA6 A:TBR120 2.7 35.2 0.6 NZ A:LYS69 3.2 53.6 1.0 NZ A:LYS82 3.3 67.4 1.0 BR1 A:TBR120 3.5 28.5 0.6 BRC A:TBR120 3.7 30.0 0.6 BR3 A:TBR120 3.7 28.7 0.6 BRB A:TBR120 3.7 32.3 0.6 O A:HOH143 3.9 50.5 1.0 TA2 A:TBR120 4.2 34.7 0.6 TA5 A:TBR120 4.2 35.7 0.6 CE A:LYS69 4.5 48.8 1.0 CE A:LYS82 4.6 56.4 1.0 CD A:LYS69 4.7 44.5 1.0 CD A:LYS82 4.8 43.6 1.0 CG A:LYS82 4.8 34.6 1.0

Bromine binding site 5 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:31.1 occ:0.60 BR5 A:TBR120 0.0 31.1 0.6 TA2 A:TBR120 2.6 34.7 0.6 TA3 A:TBR120 2.6 34.5 0.6 CG1 A:VAL85 3.1 28.7 1.0 BR2 A:TBR120 3.6 29.6 0.6 BRA A:TBR120 3.7 34.7 0.6 BR1 A:TBR120 3.7 28.5 0.6 BR9 A:TBR120 3.7 32.3 0.6 N A:SER86 3.8 29.4 1.0 C A:VAL85 3.9 31.2 1.0 CB A:VAL85 4.0 28.5 1.0 CA A:SER86 4.0 29.9 1.0 O A:VAL85 4.1 30.9 1.0 TA1 A:TBR120 4.1 31.8 0.6 TA4 A:TBR120 4.2 34.7 0.6 OG A:SER89 4.2 48.9 1.0 CA A:VAL85 4.5 24.7 1.0 CB A:SER86 4.6 34.1 1.0 CB A:SER89 4.7 39.4 1.0 O A:LYS82 4.9 24.1 1.0

Bromine binding site 6 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:31.3 occ:0.60 BR6 A:TBR120 0.0 31.3 0.6 TA5 A:TBR120 2.7 35.7 0.6 TA3 A:TBR120 2.7 34.5 0.6 BR2 A:TBR120 3.5 29.6 0.6 BR3 A:TBR120 3.6 28.7 0.6 BR7 A:TBR120 3.7 33.9 0.6 BRA A:TBR120 3.8 34.7 0.6 O A:HOH137 4.0 37.5 1.0 TA4 A:TBR120 4.2 34.7 0.6 TA1 A:TBR120 4.3 31.8 0.6

Bromine binding site 7 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:33.9 occ:0.60 BR7 A:TBR120 0.0 33.9 0.6 TA4 A:TBR120 2.6 34.7 0.6 TA5 A:TBR120 2.8 35.7 0.6 BRA A:TBR120 3.5 34.7 0.6 BRB A:TBR120 3.6 32.3 0.6 BR6 A:TBR120 3.7 31.3 0.6 BR8 A:TBR120 3.7 33.7 0.6 TA3 A:TBR120 4.1 34.5 0.6 TA6 A:TBR120 4.2 35.2 0.6

Bromine binding site 8 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:33.7 occ:0.60 BR8 A:TBR120 0.0 33.7 0.6 TA4 A:TBR120 2.6 34.7 0.6 TA6 A:TBR120 2.6 35.2 0.6 BR9 A:TBR120 3.4 32.3 0.6 BRC A:TBR120 3.5 30.0 0.6 BRB A:TBR120 3.7 32.3 0.6 BR7 A:TBR120 3.7 33.9 0.6 TA2 A:TBR120 4.0 34.7 0.6 TA5 A:TBR120 4.2 35.7 0.6

Bromine binding site 9 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:32.3 occ:0.60 BR9 A:TBR120 0.0 32.3 0.6 TA2 A:TBR120 2.7 34.7 0.6 TA4 A:TBR120 2.7 34.7 0.6 BR8 A:TBR120 3.4 33.7 0.6 BRC A:TBR120 3.6 30.0 0.6 BRA A:TBR120 3.7 34.7 0.6 BR5 A:TBR120 3.7 31.1 0.6 TA6 A:TBR120 4.1 35.2 0.6 TA3 A:TBR120 4.2 34.5 0.6 CB A:SER86 4.9 34.1 1.0

Bromine binding site 10 out of 12 in the Apis Mellifera OBP14 in Complex with TA6BR14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Apis Mellifera OBP14 in Complex with TA6BR14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br120 b:34.7 occ:0.60 BRA A:TBR120 0.0 34.7 0.6 TA4 A:TBR120 2.6 34.7 0.6 TA3 A:TBR120 2.7 34.5 0.6 BR7 A:TBR120 3.5 33.9 0.6 BR9 A:TBR120 3.7 32.3 0.6 BR5 A:TBR120 3.7 31.1 0.6 BR6 A:TBR120 3.8 31.3 0.6 TA2 A:TBR120 4.2 34.7 0.6 TA5 A:TBR120 4.2 35.7 0.6

S.Spinelli, A.Lagarde, I.Iovinella, P.Legrand, M.Tegoni, P.Pelosi, C.Cambillau. Crystal Structure of Apis Mellifera OBP14, A C-Minus Odorant-Binding Protein, and Its Complexes with Odorant Molecules. Insect Biochem.Mol.Biol. V. 42 41 2012.
ISSN: ISSN 0965-1748
PubMed: 22075131
DOI: 10.1016/J.IBMB.2011.10.005