Magnesium in PDB 2hhk: Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol

The structure of Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol, PDB code: 2hhk 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)	46.00 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.417, 139.417, 183.701, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 19.7

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

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

The binding sites of Magnesium atom in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol (pdb code 2hhk). 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 Phosphatidylglycerol, PDB code: 2hhk:
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 Phosphatidylglycerol


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 Phosphatidylglycerol within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg312 b:59.4 occ:1.00 MG L:BCL312 0.0 59.4 1.0 ND L:BCL312 2.0 57.7 1.0 NE2 L:HIS173 2.0 55.7 1.0 NC L:BCL312 2.1 58.4 1.0 NB L:BCL312 2.1 58.6 1.0 NA L:BCL312 2.2 57.4 1.0 CE1 L:HIS173 3.0 56.4 1.0 C4D L:BCL312 3.0 60.7 1.0 CD2 L:HIS173 3.1 56.5 1.0 C1D L:BCL312 3.1 58.4 1.0 C1C L:BCL312 3.1 57.2 1.0 C4C L:BCL312 3.1 57.1 1.0 C4B L:BCL312 3.1 57.9 1.0 C4A L:BCL312 3.1 58.5 1.0 C1B L:BCL312 3.1 59.1 1.0 C1A L:BCL312 3.2 59.1 1.0 CHD L:BCL312 3.4 59.6 1.0 CHC L:BCL312 3.4 57.8 1.0 CHB L:BCL312 3.5 58.4 1.0 CHA L:BCL312 3.5 59.8 1.0 CBB M:BCL313 3.7 55.6 1.0 CAB M:BCL313 3.9 61.5 1.0 OBB M:BCL313 4.0 62.5 1.0 ND1 L:HIS173 4.1 59.3 1.0 C3D L:BCL312 4.2 61.6 1.0 CG L:HIS173 4.2 59.7 1.0 C2D L:BCL312 4.3 59.8 1.0 C3B L:BCL312 4.4 57.0 1.0 C2B L:BCL312 4.4 59.7 1.0 C3C L:BCL312 4.4 57.5 1.0 C3A L:BCL312 4.4 59.1 1.0 C2C L:BCL312 4.4 56.3 1.0 C2A L:BCL312 4.5 59.6 1.0 C3B M:BCL313 4.6 58.8 1.0 CD2 L:PHE167 4.6 60.5 1.0 CMA L:BCL312 4.9 55.4 1.0 CBD L:BCL312 5.0 61.0 1.0

Magnesium binding site 2 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol


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 Phosphatidylglycerol within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg314 b:58.7 occ:1.00 MG L:BCL314 0.0 58.7 1.0 NC L:BCL314 2.0 59.1 1.0 ND L:BCL314 2.1 57.7 1.0 NB L:BCL314 2.1 56.9 1.0 NA L:BCL314 2.2 56.2 1.0 NE2 L:HIS153 2.3 59.3 1.0 C1C L:BCL314 3.0 59.8 1.0 C4D L:BCL314 3.0 58.6 1.0 C4C L:BCL314 3.0 57.6 1.0 C4B L:BCL314 3.1 58.9 1.0 C4A L:BCL314 3.1 55.9 1.0 CD2 L:HIS153 3.1 60.9 1.0 C1B L:BCL314 3.1 56.0 1.0 C1D L:BCL314 3.1 56.8 1.0 C1A L:BCL314 3.2 56.6 1.0 CHC L:BCL314 3.3 61.2 1.0 CE1 L:HIS153 3.4 59.6 1.0 CHD L:BCL314 3.4 56.6 1.0 CHB L:BCL314 3.5 55.1 1.0 CHA L:BCL314 3.5 59.6 1.0 C3D L:BCL314 4.2 57.1 1.0 C2C L:BCL314 4.3 59.1 1.0 CBB L:BPH402 4.3 58.5 1.0 C3B L:BCL314 4.3 58.9 1.0 C3C L:BCL314 4.3 58.4 1.0 C2D L:BCL314 4.3 56.7 1.0 C2B L:BCL314 4.3 57.9 1.0 CG L:HIS153 4.3 60.3 1.0 C3A L:BCL314 4.4 57.4 1.0 ND1 L:HIS153 4.4 59.8 1.0 C2A L:BCL314 4.5 57.4 1.0 CE2 M:TYR210 4.7 62.3 1.0 C19 L:BPH402 4.7 60.4 1.0 CD1 L:LEU154 4.8 56.1 1.0 CBC L:BCL314 4.8 56.8 1.0 CBA L:BCL314 4.9 62.0 1.0 CMC L:BCL314 5.0 57.5 1.0 CBD L:BCL314 5.0 60.3 1.0

Magnesium binding site 3 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol


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 Phosphatidylglycerol within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg311 b:61.2 occ:1.00 MG M:BCL311 0.0 61.2 1.0 ND M:BCL311 2.1 61.3 1.0 NB M:BCL311 2.1 62.4 1.0 NC M:BCL311 2.1 61.9 1.0 NA M:BCL311 2.2 61.6 1.0 NE2 M:HIS182 2.3 55.1 1.0 C4D M:BCL311 3.0 60.5 1.0 C1C M:BCL311 3.1 60.1 1.0 C4B M:BCL311 3.1 60.1 1.0 C1D M:BCL311 3.1 58.5 1.0 C1B M:BCL311 3.1 62.4 1.0 C4C M:BCL311 3.1 59.7 1.0 C4A M:BCL311 3.1 59.3 1.0 CD2 M:HIS182 3.2 59.8 1.0 C1A M:BCL311 3.2 61.6 1.0 CE1 M:HIS182 3.3 60.8 1.0 CHC M:BCL311 3.4 60.9 1.0 CHD M:BCL311 3.4 59.7 1.0 CHB M:BCL311 3.4 58.9 1.0 CHA M:BCL311 3.5 60.9 1.0 C3D M:BCL311 4.2 61.5 1.0 C2D M:BCL311 4.3 60.6 1.0 C3B M:BCL311 4.3 63.6 1.0 C2B M:BCL311 4.3 63.5 1.0 CG M:HIS182 4.4 58.4 1.0 ND1 M:HIS182 4.4 57.8 1.0 C2C M:BCL311 4.4 59.6 1.0 C3C M:BCL311 4.4 59.9 1.0 C3A M:BCL311 4.4 61.2 1.0 C2A M:BCL311 4.5 62.4 1.0 CBB M:BPH401 4.6 58.0 1.0 CBD M:BCL311 4.9 60.5 1.0 CE2 L:PHE181 4.9 60.2 1.0 CMA M:BCL311 5.0 55.4 1.0

Magnesium binding site 4 out of 4 in the Reaction Centre From Rhodobacter Sphaeroides Strain R-26.1 Complexed with Dibrominated Phosphatidylglycerol


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 Phosphatidylglycerol within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg313 b:59.2 occ:1.00 MG M:BCL313 0.0 59.2 1.0 NB M:BCL313 2.1 56.7 1.0 NC M:BCL313 2.1 55.5 1.0 ND M:BCL313 2.1 56.4 1.0 NA M:BCL313 2.2 57.0 1.0 NE2 M:HIS202 2.3 57.8 1.0 C1B M:BCL313 3.0 57.6 1.0 C1C M:BCL313 3.0 54.4 1.0 C4D M:BCL313 3.0 56.1 1.0 C4B M:BCL313 3.1 58.3 1.0 C4C M:BCL313 3.1 53.6 1.0 C4A M:BCL313 3.1 57.6 1.0 C1D M:BCL313 3.1 56.8 1.0 CE1 M:HIS202 3.2 59.3 1.0 C1A M:BCL313 3.2 58.1 1.0 CD2 M:HIS202 3.3 59.2 1.0 CHB M:BCL313 3.4 56.7 1.0 CHC M:BCL313 3.4 56.1 1.0 CHD M:BCL313 3.5 55.2 1.0 CBB L:BCL312 3.5 53.5 1.0 CHA M:BCL313 3.5 57.5 1.0 CAB L:BCL312 3.7 58.0 1.0 OBB L:BCL312 3.9 57.1 1.0 C2B M:BCL313 4.2 58.8 1.0 C3D M:BCL313 4.3 55.0 1.0 C3B M:BCL313 4.3 58.8 1.0 C2C M:BCL313 4.3 56.1 1.0 C2D M:BCL313 4.3 57.1 1.0 C3C M:BCL313 4.4 56.1 1.0 ND1 M:HIS202 4.4 57.4 1.0 CG M:HIS202 4.4 57.5 1.0 C3B L:BCL312 4.5 57.0 1.0 C3A M:BCL313 4.5 59.4 1.0 C2A M:BCL313 4.6 59.5 1.0 CMC M:BCL313 4.9 53.0 1.0 CBD M:BCL313 5.0 57.6 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