Magnesium in PDB 1pss: Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides

The structure of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides, PDB code: 1pss was solved by A.J.Chirino, G.Feher, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	138.000, 77.500, 141.800, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / n/a

The structure of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides (pdb code 1pss). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides, PDB code: 1pss:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg1 b:11.6 occ:1.00 MG M:BCL1 0.0 11.6 1.0 NE2 M:HIS182 2.0 15.4 1.0 ND M:BCL1 2.0 13.8 1.0 NB M:BCL1 2.0 16.8 1.0 NC M:BCL1 2.1 14.4 1.0 NA M:BCL1 2.1 17.9 1.0 CD2 M:HIS182 2.9 17.8 1.0 CE1 M:HIS182 3.0 14.7 1.0 C4D M:BCL1 3.0 17.1 1.0 C4A M:BCL1 3.1 17.8 1.0 C1D M:BCL1 3.1 14.8 1.0 C1B M:BCL1 3.1 18.5 1.0 C1C M:BCL1 3.1 15.4 1.0 C4C M:BCL1 3.1 14.9 1.0 C4B M:BCL1 3.1 20.1 1.0 C1A M:BCL1 3.1 17.7 1.0 CHB M:BCL1 3.4 18.6 1.0 CHC M:BCL1 3.4 20.4 1.0 CHD M:BCL1 3.4 15.7 1.0 CHA M:BCL1 3.4 19.8 1.0 CG M:HIS182 4.0 17.1 1.0 ND1 M:HIS182 4.1 14.5 1.0 C2D M:BCL1 4.2 15.9 1.0 C2B M:BCL1 4.3 18.0 1.0 C3B M:BCL1 4.3 21.0 1.0 C3D M:BCL1 4.3 18.7 1.0 C3A M:BCL1 4.4 15.2 1.0 C3C M:BCL1 4.4 10.4 1.0 C2C M:BCL1 4.4 8.8 1.0 C2A M:BCL1 4.4 16.6 1.0 CE2 L:PHE181 4.4 30.8 1.0 CBB M:BPH5 4.7 21.6 1.0 CBD M:BCL1 4.9 23.4 1.0

Magnesium binding site 2 out of 4 in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg2 b:16.3 occ:1.00 MG L:BCL2 0.0 16.3 1.0 ND L:BCL2 2.0 14.5 1.0 NB L:BCL2 2.1 22.1 1.0 NC L:BCL2 2.1 17.9 1.0 NA L:BCL2 2.1 18.5 1.0 NE2 L:HIS173 2.6 17.7 1.0 C4A L:BCL2 3.0 15.3 1.0 C4D L:BCL2 3.0 13.7 1.0 C1B L:BCL2 3.1 25.0 1.0 C4C L:BCL2 3.1 18.9 1.0 C1D L:BCL2 3.1 16.3 1.0 C1C L:BCL2 3.1 19.2 1.0 C4B L:BCL2 3.1 24.7 1.0 C1A L:BCL2 3.1 16.5 1.0 CE1 L:HIS173 3.4 20.8 1.0 CHB L:BCL2 3.4 22.7 1.0 CHD L:BCL2 3.4 18.9 1.0 CHC L:BCL2 3.4 23.9 1.0 CHA L:BCL2 3.5 17.0 1.0 CBB M:BCL3 3.5 2.0 1.0 CD2 L:HIS173 3.6 19.1 1.0 CAB M:BCL3 3.8 4.0 1.0 OBB M:BCL3 4.0 15.5 1.0 C2D L:BCL2 4.2 14.8 1.0 C2B L:BCL2 4.3 25.2 1.0 C3B L:BCL2 4.3 24.2 1.0 C3D L:BCL2 4.3 17.8 1.0 C3A L:BCL2 4.4 11.6 1.0 C2C L:BCL2 4.4 19.3 1.0 C3C L:BCL2 4.4 19.3 1.0 C2A L:BCL2 4.4 12.1 1.0 C3B M:BCL3 4.5 2.9 1.0 CD2 L:PHE167 4.5 15.6 1.0 ND1 L:HIS173 4.6 20.7 1.0 CG L:HIS173 4.7 19.6 1.0 CE2 L:PHE167 4.9 17.2 1.0 CBD L:BCL2 4.9 20.8 1.0

Magnesium binding site 3 out of 4 in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg3 b:6.5 occ:1.00 MG M:BCL3 0.0 6.5 1.0 ND M:BCL3 2.0 7.0 1.0 NA M:BCL3 2.0 2.0 1.0 NC M:BCL3 2.1 2.9 1.0 NB M:BCL3 2.1 7.7 1.0 NE2 M:HIS202 2.1 9.7 1.0 CBB L:BCL2 2.8 22.7 1.0 CE1 M:HIS202 3.0 12.6 1.0 C4D M:BCL3 3.0 7.7 1.0 C4A M:BCL3 3.0 2.0 1.0 C1C M:BCL3 3.1 2.6 1.0 C4C M:BCL3 3.1 2.0 1.0 C1D M:BCL3 3.1 7.6 1.0 C1B M:BCL3 3.1 7.6 1.0 C1A M:BCL3 3.1 2.0 1.0 C4B M:BCL3 3.1 2.0 1.0 CD2 M:HIS202 3.1 9.6 1.0 CHB M:BCL3 3.4 5.1 1.0 CHC M:BCL3 3.4 2.0 1.0 CHA M:BCL3 3.4 5.2 1.0 CHD M:BCL3 3.4 4.9 1.0 CAB L:BCL2 3.9 22.6 1.0 ND1 M:HIS202 4.2 5.6 1.0 C2D M:BCL3 4.2 7.9 1.0 CG M:HIS202 4.2 5.1 1.0 C2B M:BCL3 4.3 4.4 1.0 C3D M:BCL3 4.3 5.8 1.0 C3B M:BCL3 4.3 2.9 1.0 C2C M:BCL3 4.4 4.5 1.0 C3A M:BCL3 4.4 4.5 1.0 C3C M:BCL3 4.4 2.0 1.0 C2A M:BCL3 4.4 6.2 1.0 C3B L:BCL2 4.6 24.2 1.0 OBB L:BCL2 4.7 22.9 1.0 CBD M:BCL3 4.9 11.2 1.0

Magnesium binding site 4 out of 4 in the Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg4 b:2.0 occ:1.00 MG M:BCL4 0.0 2.0 1.0 ND M:BCL4 2.0 3.4 1.0 NC M:BCL4 2.0 3.1 1.0 NA M:BCL4 2.1 2.9 1.0 NB M:BCL4 2.1 4.2 1.0 NE2 L:HIS153 2.8 31.6 1.0 C4D M:BCL4 3.0 2.0 1.0 C4A M:BCL4 3.0 2.0 1.0 C1C M:BCL4 3.0 6.4 1.0 C4C M:BCL4 3.1 3.5 1.0 C1B M:BCL4 3.1 2.0 1.0 C1D M:BCL4 3.1 2.0 1.0 C4B M:BCL4 3.1 5.2 1.0 C1A M:BCL4 3.1 2.0 1.0 CD2 L:HIS153 3.3 34.0 1.0 CHC M:BCL4 3.4 6.3 1.0 CHB M:BCL4 3.4 2.0 1.0 CHA M:BCL4 3.4 2.0 1.0 CHD M:BCL4 3.4 2.0 1.0 CE1 L:HIS153 3.9 32.0 1.0 C2D M:BCL4 4.2 2.0 1.0 C2B M:BCL4 4.3 2.0 1.0 C3D M:BCL4 4.3 3.9 1.0 C3B M:BCL4 4.3 6.3 1.0 C3A M:BCL4 4.4 2.9 1.0 C3C M:BCL4 4.4 4.9 1.0 C2C M:BCL4 4.4 7.8 1.0 CE2 M:TYR210 4.4 15.6 1.0 C2A M:BCL4 4.4 4.7 1.0 CG L:HIS153 4.6 33.4 1.0 ND1 L:HIS153 4.9 31.9 1.0 CBD M:BCL4 4.9 7.0 1.0 CBA M:BCL4 5.0 14.3 1.0 OBB L:BPH271 5.0 22.3 1.0 C19 L:BPH271 5.0 10.6 1.0

A.J.Chirino, E.J.Lous, M.Huber, J.P.Allen, C.C.Schenck, M.L.Paddock, G.Feher, D.C.Rees. Crystallographic Analyses of Site-Directed Mutants of the Photosynthetic Reaction Center From Rhodobacter Sphaeroides. Biochemistry V. 33 4584 1994.
ISSN: ISSN 0006-2960
PubMed: 8161514
DOI: 10.1021/BI00181A020