Magnesium in PDB 1rgn: Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene

The structure of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene, PDB code: 1rgn was solved by A.W.Roszak, H.A.Frank, K.Mckendrick, I.A.Mitchell, R.J.Cogdell, N.W.Isaacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.00 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.817, 139.817, 184.047, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.2

The structure of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene also contains other interesting chemical elements:

Iron

(Fe)

1 atom

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

Magnesium binding site 1 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:73.0 occ:1.00 MG L:BCL302 0.0 73.0 1.0 NE2 L:HIS173 2.0 64.1 1.0 NC L:BCL302 2.1 71.6 1.0 ND L:BCL302 2.1 72.8 1.0 NB L:BCL302 2.1 72.8 1.0 NA L:BCL302 2.3 71.9 1.0 CD2 L:HIS173 3.0 66.4 1.0 CE1 L:HIS173 3.0 64.4 1.0 C4D L:BCL302 3.1 72.9 1.0 C1C L:BCL302 3.1 70.4 1.0 C4B L:BCL302 3.1 73.4 1.0 C4C L:BCL302 3.1 71.2 1.0 C1B L:BCL302 3.1 73.0 1.0 C1D L:BCL302 3.2 72.0 1.0 C4A L:BCL302 3.2 71.2 1.0 C1A L:BCL302 3.3 72.4 1.0 CHC L:BCL302 3.4 71.4 1.0 CHD L:BCL302 3.4 72.1 1.0 CHB L:BCL302 3.5 71.7 1.0 CHA L:BCL302 3.6 72.4 1.0 CBB M:BCL909 3.7 69.1 1.0 CAB M:BCL909 4.1 71.1 1.0 ND1 L:HIS173 4.1 66.8 1.0 CG L:HIS173 4.1 69.5 1.0 C3D L:BCL302 4.3 71.8 1.0 OBB M:BCL909 4.3 76.9 1.0 C3B L:BCL302 4.3 73.6 1.0 C2D L:BCL302 4.3 72.9 1.0 C2B L:BCL302 4.3 72.4 1.0 C2C L:BCL302 4.4 66.9 1.0 C3C L:BCL302 4.4 68.2 1.0 CD2 L:PHE167 4.4 68.0 1.0 C3A L:BCL302 4.5 72.3 1.0 C2A L:BCL302 4.6 73.4 1.0 C3B M:BCL909 4.8 71.3 1.0 CMA L:BCL302 5.0 71.3 1.0

Magnesium binding site 2 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg304 b:57.6 occ:1.00 MG L:BCL304 0.0 57.6 1.0 ND L:BCL304 2.0 55.7 1.0 NC L:BCL304 2.0 57.5 1.0 NA L:BCL304 2.1 54.5 1.0 NB L:BCL304 2.1 59.2 1.0 NE2 L:HIS153 2.3 66.2 1.0 C4D L:BCL304 2.9 56.7 1.0 C1C L:BCL304 3.0 60.5 1.0 C4C L:BCL304 3.1 59.3 1.0 C1D L:BCL304 3.1 56.4 1.0 C4B L:BCL304 3.1 60.1 1.0 C4A L:BCL304 3.1 54.9 1.0 CD2 L:HIS153 3.1 67.7 1.0 C1B L:BCL304 3.1 59.6 1.0 C1A L:BCL304 3.2 58.7 1.0 CHC L:BCL304 3.3 59.9 1.0 CE1 L:HIS153 3.3 68.0 1.0 CHA L:BCL304 3.4 58.7 1.0 CHD L:BCL304 3.4 58.0 1.0 CHB L:BCL304 3.5 57.2 1.0 C3D L:BCL304 4.1 58.1 1.0 C2D L:BCL304 4.2 56.0 1.0 CG L:HIS153 4.3 69.0 1.0 C2C L:BCL304 4.3 60.5 1.0 C3C L:BCL304 4.3 60.6 1.0 C3B L:BCL304 4.4 62.1 1.0 C2B L:BCL304 4.4 59.3 1.0 ND1 L:HIS153 4.4 70.4 1.0 C3A L:BCL304 4.4 58.9 1.0 CE2 M:TYR210 4.5 68.6 1.0 C2A L:BCL304 4.5 59.9 1.0 OBB L:BPH402 4.7 76.2 1.0 CD2 L:LEU154 4.8 72.5 1.0 CBD L:BCL304 4.9 60.6 1.0 CBC L:BCL304 4.9 63.4 1.0 CBA L:BCL304 4.9 67.8 1.0 C19 L:BPH402 5.0 75.7 1.0

Magnesium binding site 3 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg908 b:69.2 occ:1.00 MG M:BCL908 0.0 69.2 1.0 ND M:BCL908 2.0 69.0 1.0 NE2 M:HIS182 2.1 67.5 1.0 NC M:BCL908 2.1 69.0 1.0 NB M:BCL908 2.2 72.0 1.0 NA M:BCL908 2.2 68.3 1.0 C4D M:BCL908 3.0 68.1 1.0 CD2 M:HIS182 3.0 72.0 1.0 C1C M:BCL908 3.1 68.2 1.0 C1D M:BCL908 3.1 69.1 1.0 CE1 M:HIS182 3.1 71.5 1.0 C4C M:BCL908 3.1 68.1 1.0 C1B M:BCL908 3.2 71.9 1.0 C4B M:BCL908 3.2 71.0 1.0 C4A M:BCL908 3.2 68.0 1.0 C1A M:BCL908 3.3 68.9 1.0 CHB M:BCL908 3.5 69.6 1.0 CHD M:BCL908 3.5 68.2 1.0 CHC M:BCL908 3.5 68.8 1.0 CHA M:BCL908 3.5 68.9 1.0 C3D M:BCL908 4.1 68.2 1.0 CG M:HIS182 4.2 70.7 1.0 ND1 M:HIS182 4.2 69.9 1.0 C2D M:BCL908 4.2 69.8 1.0 C2B M:BCL908 4.4 71.4 1.0 C2C M:BCL908 4.4 64.8 1.0 C3C M:BCL908 4.4 66.5 1.0 C3B M:BCL908 4.4 74.5 1.0 C3A M:BCL908 4.5 68.2 1.0 C2A M:BCL908 4.6 69.8 1.0 OBB M:BPH401 4.9 79.4 1.0 CBD M:BCL908 4.9 70.2 1.0 C18 M:SPO600 5.0 73.8 1.0

Magnesium binding site 4 out of 4 in the Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Reaction Centre From Rhodobacter Sphaeroides Carotenoidless Strain R-26.1 Reconstituted with Spheroidene within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg909 b:68.9 occ:1.00 MG M:BCL909 0.0 68.9 1.0 NC M:BCL909 2.0 67.0 1.0 ND M:BCL909 2.0 67.4 1.0 NB M:BCL909 2.1 69.5 1.0 NA M:BCL909 2.2 68.1 1.0 NE2 M:HIS202 2.3 69.3 1.0 C4D M:BCL909 3.0 67.8 1.0 C1C M:BCL909 3.0 67.6 1.0 C4C M:BCL909 3.1 67.2 1.0 C1D M:BCL909 3.1 67.1 1.0 C4B M:BCL909 3.1 70.6 1.0 C1B M:BCL909 3.1 68.8 1.0 C4A M:BCL909 3.1 69.6 1.0 C1A M:BCL909 3.2 67.8 1.0 CD2 M:HIS202 3.3 70.3 1.0 CE1 M:HIS202 3.3 69.2 1.0 CHC M:BCL909 3.4 68.3 1.0 CHD M:BCL909 3.4 67.7 1.0 CHB M:BCL909 3.4 69.2 1.0 CHA M:BCL909 3.5 67.4 1.0 CBB L:BCL302 3.5 73.6 1.0 CAB L:BCL302 3.9 71.8 1.0 OBB L:BCL302 4.1 70.6 1.0 C3D M:BCL909 4.2 67.4 1.0 C2D M:BCL909 4.3 66.6 1.0 C2C M:BCL909 4.3 66.9 1.0 C3C M:BCL909 4.3 67.0 1.0 C2B M:BCL909 4.3 70.0 1.0 C3B M:BCL909 4.4 71.3 1.0 CG M:HIS202 4.4 70.0 1.0 ND1 M:HIS202 4.4 70.3 1.0 C3A M:BCL909 4.5 71.0 1.0 C2A M:BCL909 4.5 71.5 1.0 C3B L:BCL302 4.6 73.6 1.0 CBD M:BCL909 4.9 66.8 1.0 O2D M:BCL909 4.9 71.1 1.0

A.W.Roszak, K.Mckendrick, A.T.Gardiner, I.A.Mitchell, N.W.Isaacs, R.J.Cogdell, H.Hashimoto, H.A.Frank. Protein Regulation of Carotenoid Binding: Gatekeeper and Locking Amino Acid Residues in Reaction Centers of Rhodobacter Sphaeroides Structure V. 12 765 2004.
ISSN: ISSN 0969-2126
PubMed: 15130469
DOI: 10.1016/J.STR.2004.02.037