Chlorine 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
Bromine	(Br)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine, PDB code: 2hit:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl701 b:71.5 occ:0.80 OH H:TYR30 3.0 74.4 1.0 NH1 M:ARG267 3.0 70.9 1.0 NE1 M:TRP271 3.2 75.3 1.0 OB9 M:CDL800 3.5 63.4 0.5 CD M:ARG267 3.6 69.1 1.0 CE2 H:TYR30 3.6 73.0 1.0 CZ H:TYR30 3.7 72.8 1.0 CG M:ARG267 3.9 68.2 1.0 CD1 M:TRP271 3.9 76.4 1.0 CB M:ARG267 4.0 69.0 1.0 CZ M:ARG267 4.1 70.6 1.0 OA7 M:CDL800 4.2 77.5 0.5 NE M:ARG267 4.3 71.2 1.0 CA5 M:CDL800 4.3 75.4 0.5 CB7 M:CDL800 4.3 63.8 0.5 CE2 M:TRP271 4.4 74.1 1.0 OA6 M:CDL800 4.4 78.5 0.5 OA5 M:CDL800 4.5 73.1 0.5 CA4 M:CDL800 4.8 81.0 0.5 CA M:ARG267 4.8 69.6 1.0 C71 M:CDL800 4.8 61.6 0.5 CZ2 M:TRP271 4.8 76.2 1.0 CG2 M:ILE270 4.9 69.5 1.0 CD2 H:TYR30 4.9 70.0 1.0 C11 M:CDL800 5.0 71.7 0.5

Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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:Cl702 b:66.8 occ:0.70 O M:HOH1254 2.9 62.8 1.0 NH1 M:ARG132 3.0 81.0 1.0 N M:GLY53 3.1 75.5 1.0 N M:GLY56 3.2 76.4 1.0 CA M:GLY53 3.5 75.7 1.0 CD1 M:TYR51 3.7 76.3 1.0 CA M:GLY56 3.7 76.3 1.0 CE1 M:TYR51 3.7 77.1 1.0 CG M:ARG132 3.8 75.3 1.0 C M:GLY53 3.9 76.0 1.0 O M:HOH1308 4.0 59.9 1.0 O M:GLY53 4.0 76.6 1.0 C M:LEU52 4.2 75.8 1.0 C M:LEU55 4.2 76.6 1.0 CZ M:ARG132 4.2 80.5 1.0 N M:LEU55 4.3 75.9 1.0 CD M:ARG132 4.3 77.4 1.0 CB M:LEU55 4.3 75.5 1.0 CA M:LEU52 4.4 76.1 1.0 O M:TYR51 4.5 76.4 1.0 CA M:LEU55 4.5 76.1 1.0 O M:HOH1266 4.5 71.3 1.0 N M:SER54 4.6 76.2 1.0 O M:HOH1171 4.6 59.4 1.0 NE M:ARG136 4.7 75.0 1.0 NE M:ARG132 4.7 77.2 1.0 C M:TYR51 5.0 75.5 1.0

Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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 H:Cl703 b:72.5 occ:0.50 O H:HOH1280 2.8 78.6 1.0 N H:ASN129 3.2 70.1 1.0 CA H:HIS128 3.6 69.9 1.0 ND1 H:HIS128 3.7 71.1 1.0 NZ H:LYS132 3.7 84.1 1.0 CB H:HIS128 3.8 70.3 1.0 C H:HIS128 3.8 69.6 1.0 CG H:HIS128 4.2 71.6 1.0 CG H:ASN129 4.3 71.1 1.0 CA H:ASN129 4.3 71.5 1.0 OD1 H:ASN129 4.3 74.6 1.0 CB H:ASN129 4.3 71.5 1.0 CE H:LYS132 4.5 79.7 1.0 ND2 H:ASN129 4.7 67.2 1.0 CE1 H:HIS128 4.8 71.6 1.0 O H:GLY127 4.8 71.4 1.0 N H:HIS128 4.9 69.8 1.0 O H:HOH1197 5.0 85.4 1.0

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