Bromine in PDB 2hg9: Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine, PDB code: 2hg9 was solved by A.W.Roszak, A.T.Gardiner, N.W.Isaacs, R.J.Cogdell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.36 / 2.45
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.554, 139.554, 184.609, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 20.9

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Potassium	(K)	1 atom
Iron	(Fe)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Bromine atom in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine (pdb code 2hg9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine, PDB code: 2hg9:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:65.1 occ:0.12 BR4 M:PCK802 0.0 65.1 0.1 C40 M:PCK802 1.9 62.3 0.5 C41 M:PCK802 2.8 64.3 0.5 C42 M:PCK802 2.8 64.3 0.5 C39 M:PCK802 2.9 61.6 0.5 CD2 M:LEU47 2.9 49.6 0.5 CD2 M:LEU47 3.0 53.5 0.5 C38 M:PCK802 3.2 61.0 0.5 CD1 M:LEU47 3.6 52.2 0.5 BR3 M:PCK802 3.7 64.6 0.1 CG M:LEU47 3.8 54.3 0.5 CG M:LEU47 3.8 53.1 0.5 C43 M:PCK802 4.3 64.6 0.5 CB M:LEU47 4.4 52.7 1.0 C37 M:PCK802 4.7 60.9 0.5 O L:GLY221 4.7 52.2 1.0 CB L:TYR222 4.8 53.1 1.0

Bromine binding site 2 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:64.6 occ:0.12 BR3 M:PCK802 0.0 64.6 0.1 C39 M:PCK802 1.9 61.6 0.5 C38 M:PCK802 2.9 61.0 0.5 C40 M:PCK802 2.9 62.3 0.5 C41 M:PCK802 3.1 64.3 0.5 C37 M:PCK802 3.2 60.9 0.5 C16 M:PCK802 3.3 65.9 0.5 BR4 M:PCK802 3.7 65.1 0.1 C14 M:PCK802 4.0 64.5 0.5 C15 M:PCK802 4.1 65.1 0.5 C17 M:PCK802 4.2 66.7 0.5 C42 M:PCK802 4.5 64.3 0.5 C18 M:PCK802 4.6 67.2 0.5 BR1 M:PCK802 4.7 74.2 0.1 O L:VAL220 4.7 52.8 1.0 C36 M:PCK802 4.7 60.8 0.5

Bromine binding site 3 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:74.2 occ:0.12 BR1 M:PCK802 0.0 74.2 0.1 C19 M:PCK802 2.0 70.7 0.5 C20 M:PCK802 2.9 72.7 0.5 C18 M:PCK802 2.9 67.2 0.5 C44 M:PCK802 3.0 63.9 0.5 C21 M:PCK802 3.0 73.8 0.5 C27 M:PCK802 3.5 84.5 0.5 C41 M:PCK802 3.5 64.3 0.5 O L:VAL220 3.8 52.8 1.0 C25 M:PCK802 3.8 83.0 0.5 C17 M:PCK802 3.8 66.7 0.5 C46 M:PCK802 3.8 64.4 0.5 C45 M:PCK802 4.0 64.2 0.5 C26 M:PCK802 4.0 84.3 0.5 C43 M:PCK802 4.1 64.6 0.5 C42 M:PCK802 4.2 64.3 0.5 CB L:VAL220 4.4 51.4 1.0 C22 M:PCK802 4.5 74.4 0.5 C16 M:PCK802 4.6 65.9 0.5 BR2 M:PCK802 4.6 74.5 0.1 C28 M:PCK802 4.6 84.2 0.5 BR3 M:PCK802 4.7 64.6 0.1 C L:VAL220 4.7 52.0 1.0 CA L:VAL220 4.8 51.0 1.0 C40 M:PCK802 4.8 62.3 0.5 C24 M:PCK802 4.9 80.4 0.5

Bromine binding site 4 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Tetrabrominated Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:74.5 occ:0.12 BR2 M:PCK802 0.0 74.5 0.1 C20 M:PCK802 2.0 72.7 0.5 C23 M:PCK802 2.4 77.3 0.5 C22 M:PCK802 2.8 74.4 0.5 C19 M:PCK802 2.8 70.7 0.5 C21 M:PCK802 2.9 73.8 0.5 CH2 M:TRP129 3.3 54.2 1.0 C4 M:BPH401 3.3 77.5 1.0 C18 M:PCK802 3.5 67.2 0.5 C24 M:PCK802 3.5 80.4 0.5 CZ3 M:TRP129 3.5 52.7 1.0 C25 M:PCK802 3.6 83.0 0.5 CD2 M:LEU60 3.7 59.8 0.5 CZ2 M:TRP129 3.9 53.0 1.0 C6 M:BPH401 3.9 89.2 1.0 C17 M:PCK802 4.1 66.7 0.5 C3 M:BPH401 4.2 79.1 1.0 CE3 M:TRP129 4.3 51.4 1.0 CD1 M:LEU60 4.5 61.0 0.5 CE2 M:TRP129 4.5 52.0 1.0 O2A M:BPH401 4.6 65.2 1.0 BR1 M:PCK802 4.6 74.2 0.1 C5 M:BPH401 4.6 84.2 1.0 C8 M:BPH401 4.7 96.6 1.0 CD2 M:TRP129 4.7 50.8 1.0 C7 M:BPH401 4.8 93.2 1.0 C2 M:BPH401 5.0 73.0 1.0 CG M:LEU60 5.0 60.4 0.5

A.W.Roszak, A.T.Gardiner, N.W.Isaacs, R.J.Cogdell. Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center From Rhodobacter Sphaeroides. Biochemistry V. 46 2909 2007.
ISSN: ISSN 0006-2960
PubMed: 17315985
DOI: 10.1021/BI062154I