Magnesium 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:

Potassium	(K)	1 atom
Bromine	(Br)	2 atoms
Iron	(Fe)	1 atom
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylethanolamine, PDB code: 2hit:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 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 Magnesium with other atoms in the Mg 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 L:Mg312 b:69.0 occ:1.00 MG L:BCL312 0.0 69.0 1.0 ND L:BCL312 2.0 68.0 1.0 NE2 L:HIS173 2.1 64.3 1.0 NC L:BCL312 2.1 67.9 1.0 NB L:BCL312 2.1 68.5 1.0 NA L:BCL312 2.2 70.2 1.0 C4D L:BCL312 3.0 70.9 1.0 CD2 L:HIS173 3.0 64.1 1.0 C1D L:BCL312 3.1 69.0 1.0 C1C L:BCL312 3.1 65.5 1.0 C4B L:BCL312 3.1 67.4 1.0 CE1 L:HIS173 3.1 63.6 1.0 C1B L:BCL312 3.1 68.8 1.0 C4A L:BCL312 3.1 68.6 1.0 C4C L:BCL312 3.1 65.9 1.0 C1A L:BCL312 3.2 70.0 1.0 CHC L:BCL312 3.4 65.0 1.0 CHD L:BCL312 3.4 68.2 1.0 CHB L:BCL312 3.5 67.6 1.0 CHA L:BCL312 3.5 71.7 1.0 CBB M:BCL313 3.6 67.6 1.0 CAB M:BCL313 3.9 70.9 1.0 OBB M:BCL313 4.0 73.1 1.0 ND1 L:HIS173 4.2 65.9 1.0 CG L:HIS173 4.2 67.3 1.0 C3D L:BCL312 4.2 69.3 1.0 C2D L:BCL312 4.3 69.5 1.0 C2B L:BCL312 4.3 68.8 1.0 C3B L:BCL312 4.3 67.0 1.0 C3A L:BCL312 4.4 70.6 1.0 C2C L:BCL312 4.5 63.4 1.0 C3C L:BCL312 4.5 63.8 1.0 C2A L:BCL312 4.5 72.1 1.0 C3B M:BCL313 4.6 68.8 1.0 CD2 L:PHE167 4.7 73.9 1.0 CMA L:BCL312 4.9 65.6 1.0 CBD L:BCL312 5.0 70.9 1.0

Magnesium binding site 2 out of 4 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 Magnesium with other atoms in the Mg 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 L:Mg314 b:67.7 occ:1.00 MG L:BCL314 0.0 67.7 1.0 ND L:BCL314 2.0 64.6 1.0 NC L:BCL314 2.0 67.8 1.0 NA L:BCL314 2.1 62.7 1.0 NB L:BCL314 2.1 67.2 1.0 NE2 L:HIS153 2.3 72.5 1.0 C4D L:BCL314 2.9 64.9 1.0 C1C L:BCL314 3.0 69.0 1.0 C4C L:BCL314 3.1 67.8 1.0 C4A L:BCL314 3.1 60.9 1.0 C4B L:BCL314 3.1 68.3 1.0 C1D L:BCL314 3.1 64.1 1.0 CD2 L:HIS153 3.1 73.4 1.0 C1B L:BCL314 3.1 64.8 1.0 C1A L:BCL314 3.2 63.6 1.0 CE1 L:HIS153 3.4 73.5 1.0 CHC L:BCL314 3.4 71.0 1.0 CHA L:BCL314 3.4 63.2 1.0 CHB L:BCL314 3.4 62.5 1.0 CHD L:BCL314 3.5 65.0 1.0 C3D L:BCL314 4.2 65.4 1.0 C2D L:BCL314 4.3 63.5 1.0 CBB L:BPH402 4.3 75.1 1.0 C3B L:BCL314 4.3 68.7 1.0 CG L:HIS153 4.3 73.0 1.0 C3C L:BCL314 4.3 67.5 1.0 C2B L:BCL314 4.3 64.4 1.0 C2C L:BCL314 4.4 66.4 1.0 C3A L:BCL314 4.4 62.3 1.0 ND1 L:HIS153 4.4 72.4 1.0 C2A L:BCL314 4.4 62.6 1.0 C19 L:BPH402 4.7 66.4 1.0 CE2 M:TYR210 4.7 70.6 1.0 CBA L:BCL314 4.8 69.7 1.0 CD1 L:LEU154 4.8 75.5 1.0 CBD L:BCL314 4.9 65.8 1.0 CBC L:BCL314 4.9 64.3 1.0

Magnesium binding site 3 out of 4 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 Magnesium with other atoms in the Mg 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 M:Mg311 b:71.3 occ:1.00 MG M:BCL311 0.0 71.3 1.0 ND M:BCL311 2.0 72.1 1.0 NC M:BCL311 2.1 71.9 1.0 NB M:BCL311 2.1 71.9 1.0 NA M:BCL311 2.2 70.4 1.0 NE2 M:HIS182 2.2 70.5 1.0 C4D M:BCL311 3.0 72.2 1.0 C1C M:BCL311 3.1 69.8 1.0 CD2 M:HIS182 3.1 72.2 1.0 C4B M:BCL311 3.1 71.6 1.0 C1D M:BCL311 3.1 70.3 1.0 C4C M:BCL311 3.1 70.2 1.0 C4A M:BCL311 3.1 69.3 1.0 C1B M:BCL311 3.1 71.4 1.0 C1A M:BCL311 3.2 71.1 1.0 CE1 M:HIS182 3.3 74.1 1.0 CHC M:BCL311 3.4 70.9 1.0 CHA M:BCL311 3.4 71.6 1.0 CHD M:BCL311 3.5 70.1 1.0 CHB M:BCL311 3.5 67.3 1.0 C3D M:BCL311 4.2 73.2 1.0 C2D M:BCL311 4.3 72.4 1.0 CG M:HIS182 4.3 68.6 1.0 C2B M:BCL311 4.3 73.1 1.0 C3B M:BCL311 4.3 73.1 1.0 C3A M:BCL311 4.4 70.7 1.0 ND1 M:HIS182 4.4 67.7 1.0 C2C M:BCL311 4.4 67.4 1.0 C3C M:BCL311 4.4 68.7 1.0 C2A M:BCL311 4.5 72.5 1.0 CBB M:BPH401 4.6 69.5 1.0 CMA M:BCL311 4.9 65.2 1.0 CBD M:BCL311 4.9 71.9 1.0

Magnesium binding site 4 out of 4 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 Magnesium with other atoms in the Mg binding site number 4 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:Mg313 b:67.0 occ:1.00 MG M:BCL313 0.0 67.0 1.0 NC M:BCL313 2.0 62.3 1.0 ND M:BCL313 2.1 62.2 1.0 NB M:BCL313 2.2 67.6 1.0 NA M:BCL313 2.2 65.8 1.0 NE2 M:HIS202 2.4 70.6 1.0 C1C M:BCL313 3.0 63.2 1.0 C4D M:BCL313 3.0 64.2 1.0 C4C M:BCL313 3.1 62.3 1.0 C4B M:BCL313 3.1 65.6 1.0 C4A M:BCL313 3.1 69.4 1.0 C1D M:BCL313 3.2 63.6 1.0 C1B M:BCL313 3.2 69.6 1.0 C1A M:BCL313 3.2 66.9 1.0 CE1 M:HIS202 3.3 71.3 1.0 CHC M:BCL313 3.4 62.0 1.0 CD2 M:HIS202 3.4 71.9 1.0 CHA M:BCL313 3.4 66.4 1.0 CHD M:BCL313 3.5 65.0 1.0 CHB M:BCL313 3.5 69.4 1.0 CBB L:BCL312 3.6 61.3 1.0 CAB L:BCL312 3.7 65.0 1.0 OBB L:BCL312 3.9 65.2 1.0 C3D M:BCL313 4.2 65.2 1.0 C2C M:BCL313 4.3 64.9 1.0 C3C M:BCL313 4.3 63.8 1.0 C2D M:BCL313 4.3 64.0 1.0 C3B M:BCL313 4.4 68.8 1.0 C2B M:BCL313 4.4 70.0 1.0 ND1 M:HIS202 4.4 69.7 1.0 C3A M:BCL313 4.5 72.2 1.0 C3B L:BCL312 4.5 67.0 1.0 CG M:HIS202 4.5 69.6 1.0 C2A M:BCL313 4.5 71.0 1.0 CBD M:BCL313 4.9 67.1 1.0 CMC M:BCL313 5.0 62.7 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