Bromine in PDB 2hit: Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine, PDB code: 2hit 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)	46.01 / 2.75
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.289, 139.289, 183.839, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.2

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

Magnesium	(Mg)	4 atoms
Potassium	(K)	1 atom
Iron	(Fe)	1 atom
Chlorine	(Cl)	3 atoms

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

Bromine binding site 1 out of 2 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine


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 Dibrominated Phosphatidylethanolamine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:77.1 occ:0.20 BR2 M:PEW802 0.0 77.1 0.2 C40 M:PEW802 1.9 76.0 0.5 C39 M:PEW802 2.7 75.8 0.5 C38 M:PEW802 2.7 73.8 0.5 C41 M:PEW802 2.8 75.9 0.5 CD2 M:LEU47 3.2 72.5 1.0 BR1 M:PEW802 3.5 84.0 0.2 CD1 M:LEU47 3.9 74.3 1.0 CG M:LEU47 4.0 73.9 1.0 C42 M:PEW802 4.2 74.4 0.5 CB M:LEU47 4.3 72.2 1.0 C37 M:PEW802 4.3 71.9 0.5 O L:GLY221 4.5 71.7 1.0 CB L:TYR222 4.6 69.0 1.0 C43 M:PEW802 4.8 72.7 0.5 C36 M:PEW802 4.9 71.5 0.5

Bromine binding site 2 out of 2 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine


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 Dibrominated Phosphatidylethanolamine within 5.0Å range: probe atom residue distance (Å) B Occ M:Br802 b:84.0 occ:0.20 BR1 M:PEW802 0.0 84.0 0.2 C39 M:PEW802 1.9 75.8 0.5 C40 M:PEW802 2.7 76.0 0.5 C41 M:PEW802 2.8 75.9 0.5 C38 M:PEW802 2.8 73.8 0.5 C19 M:BCL311 3.4 0.0 1.0 C37 M:PEW802 3.5 71.9 0.5 BR2 M:PEW802 3.5 77.1 0.2 C19 M:PEW802 3.7 67.8 0.5 C42 M:PEW802 3.8 74.4 0.5 C17 M:BCL311 3.8 0.6 1.0 C15 M:BCL311 4.0 0.2 1.0 C21 M:PEW802 4.0 62.9 0.5 C18 M:BCL311 4.2 0.6 1.0 C16 M:BCL311 4.2 0.8 1.0 O L:VAL220 4.3 72.2 1.0 C20 M:PEW802 4.5 66.1 0.5 C36 M:PEW802 4.8 71.5 0.5 C17 M:PEW802 4.9 70.8 0.5 C18 M:PEW802 4.9 69.3 0.5 C22 M:PEW802 4.9 62.9 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