Magnesium in PDB 4tqq: Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip

The structure of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip, PDB code: 4tqq was solved by J.M.Schieferstein, D.S.Khvostichenko, A.S.Pawate, P.J.A.Kenis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.81 / 2.50
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.484, 102.484, 239.939, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 21.3

The structure of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip (pdb code 4tqq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip, PDB code: 4tqq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:24.8 occ:1.00 MG L:BCL302 0.0 24.8 1.0 ND L:BCL302 2.0 24.9 1.0 NB L:BCL302 2.1 20.3 1.0 NC L:BCL302 2.1 19.7 1.0 NA L:BCL302 2.2 19.9 1.0 NE2 L:HIS153 2.7 27.5 1.0 C4D L:BCL302 3.0 23.8 1.0 C4B L:BCL302 3.1 18.1 1.0 C1C L:BCL302 3.1 22.1 1.0 C1B L:BCL302 3.1 19.9 1.0 C1D L:BCL302 3.1 24.0 1.0 C4A L:BCL302 3.2 21.5 1.0 C4C L:BCL302 3.2 23.2 0.9 CD2 L:HIS153 3.2 26.3 1.0 C1A L:BCL302 3.2 23.1 1.0 CHC L:BCL302 3.4 21.7 1.0 CHB L:BCL302 3.4 19.4 1.0 CHA L:BCL302 3.5 24.1 1.0 CHD L:BCL302 3.5 24.4 1.0 CE1 L:HIS153 3.8 29.0 1.0 C3D L:BCL302 4.2 25.5 0.8 C2D L:BCL302 4.3 22.6 1.0 C2B L:BCL302 4.3 22.0 0.8 C3B L:BCL302 4.3 22.4 1.0 C2C L:BCL302 4.4 20.9 1.0 C3C L:BCL302 4.5 20.5 1.0 C3A L:BCL302 4.5 23.6 1.0 CG L:HIS153 4.5 27.4 1.0 C2A L:BCL302 4.5 24.9 1.0 OBB L:BPH301 4.7 26.2 0.7 ND1 L:HIS153 4.8 37.2 1.0 CE2 M:TYR210 4.9 23.5 1.0 CD1 L:LEU154 4.9 29.1 1.0 C20 L:BPH301 4.9 28.4 1.0 CBC L:BCL302 4.9 22.8 1.0 CBD L:BCL302 4.9 25.2 1.0 CBA L:BCL302 5.0 18.8 1.0

Magnesium binding site 2 out of 4 in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:25.3 occ:1.00 MG L:BCL303 0.0 25.3 1.0 ND L:BCL303 2.0 26.9 1.0 NB L:BCL303 2.1 26.6 1.0 NA L:BCL303 2.2 24.7 1.0 NC L:BCL303 2.2 29.6 1.0 NE2 L:HIS173 2.4 20.1 1.0 C4D L:BCL303 3.0 27.0 1.0 C1B L:BCL303 3.1 23.3 1.0 C4B L:BCL303 3.1 25.9 1.0 C4A L:BCL303 3.1 23.2 1.0 C1D L:BCL303 3.1 27.7 1.0 C1C L:BCL303 3.1 27.7 1.0 C4C L:BCL303 3.2 26.0 1.0 C1A L:BCL303 3.2 22.6 1.0 CE1 L:HIS173 3.4 22.8 1.0 CHB L:BCL303 3.4 22.4 1.0 CHC L:BCL303 3.4 24.6 1.0 CD2 L:HIS173 3.5 27.1 1.0 CHA L:BCL303 3.5 26.8 1.0 CHD L:BCL303 3.5 27.8 1.0 OBB M:BCL402 3.7 26.5 1.0 CAB M:BCL402 3.7 27.8 1.0 CBB M:BCL402 3.8 24.9 1.0 C3D L:BCL303 4.2 27.8 1.0 C2B L:BCL303 4.3 25.9 1.0 C2D L:BCL303 4.3 30.6 1.0 C3B L:BCL303 4.4 28.7 1.0 C3A L:BCL303 4.4 22.6 1.0 C2C L:BCL303 4.5 28.2 1.0 C2A L:BCL303 4.5 21.4 1.0 C3C L:BCL303 4.5 24.7 1.0 C3B M:BCL402 4.5 25.2 1.0 ND1 L:HIS173 4.5 25.8 1.0 CG L:HIS173 4.6 31.5 1.0 CD2 L:PHE167 4.8 31.0 1.0 CBD L:BCL303 4.9 25.1 1.0

Magnesium binding site 3 out of 4 in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:22.3 occ:1.00 MG M:BCL402 0.0 22.3 1.0 ND M:BCL402 2.0 23.6 1.0 NB M:BCL402 2.1 24.7 1.0 NC M:BCL402 2.1 28.3 1.0 NA M:BCL402 2.2 27.5 1.0 NE2 M:HIS202 2.5 21.0 1.0 C4D M:BCL402 3.0 24.3 1.0 C4B M:BCL402 3.1 24.7 1.0 C1B M:BCL402 3.1 23.6 1.0 C1C M:BCL402 3.1 24.7 1.0 C4C M:BCL402 3.2 26.1 1.0 C1D M:BCL402 3.2 26.5 1.0 C4A M:BCL402 3.2 24.5 1.0 C1A M:BCL402 3.2 25.5 1.0 CBB L:BCL303 3.3 26.9 1.0 CE1 M:HIS202 3.4 24.6 1.0 CHC M:BCL402 3.4 24.9 1.0 CHB M:BCL402 3.4 22.4 1.0 CHA M:BCL402 3.5 27.9 1.0 CHD M:BCL402 3.5 23.3 1.0 CD2 M:HIS202 3.5 21.2 1.0 CAB L:BCL303 3.8 29.6 1.0 OBB L:BCL303 4.2 23.9 1.0 C3D M:BCL402 4.2 25.6 1.0 C2B M:BCL402 4.3 25.4 1.0 C2D M:BCL402 4.3 28.0 1.0 C3B M:BCL402 4.3 25.2 1.0 C2C M:BCL402 4.4 26.4 1.0 C3C M:BCL402 4.4 25.4 1.0 C3B L:BCL303 4.5 28.7 1.0 C3A M:BCL402 4.5 26.5 1.0 ND1 M:HIS202 4.5 21.0 1.0 C2A M:BCL402 4.6 25.3 1.0 CG M:HIS202 4.7 25.2 1.0 CD1 M:ILE206 4.9 22.0 1.0 CBD M:BCL402 4.9 26.4 1.0 CMC M:BCL402 4.9 22.8 1.0

Magnesium binding site 4 out of 4 in the Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Photosynthetic Reaction Center From R. Sphaeroides Analyzed at Room Temperature on An X-Ray Transparent Microfluidic Chip within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:25.1 occ:1.00 MG M:BCL403 0.0 25.1 1.0 ND M:BCL403 2.0 27.6 1.0 NB M:BCL403 2.1 25.4 1.0 NC M:BCL403 2.1 18.6 1.0 NA M:BCL403 2.2 27.3 1.0 NE2 M:HIS182 2.6 25.5 1.0 C4D M:BCL403 3.0 23.8 1.0 C1B M:BCL403 3.1 25.6 1.0 C4B M:BCL403 3.1 20.8 1.0 C1C M:BCL403 3.1 25.2 1.0 C4A M:BCL403 3.1 29.0 1.0 CD2 M:HIS182 3.1 28.4 1.0 C1D M:BCL403 3.2 23.0 1.0 C4C M:BCL403 3.2 25.6 1.0 C1A M:BCL403 3.2 26.8 1.0 CHB M:BCL403 3.4 22.4 1.0 CHC M:BCL403 3.4 21.4 1.0 CHA M:BCL403 3.5 25.9 1.0 CHD M:BCL403 3.5 22.6 1.0 CE1 M:HIS182 3.8 30.5 1.0 C3D M:BCL403 4.2 27.7 1.0 C2B M:BCL403 4.3 22.6 1.0 C2D M:BCL403 4.3 27.0 1.0 C3B M:BCL403 4.3 25.6 1.0 C3A M:BCL403 4.4 29.3 1.0 C2C M:BCL403 4.4 23.5 1.0 CG M:HIS182 4.4 30.5 1.0 C3C M:BCL403 4.5 23.4 1.0 C2A M:BCL403 4.5 26.8 1.0 CBB M:BPH404 4.6 25.6 1.0 ND1 M:HIS182 4.7 36.8 1.0 CBD M:BCL403 4.9 26.9 1.0 CMA M:BCL403 5.0 29.1 1.0

D.S.Khvostichenko, J.M.Schieferstein, A.S.Pawate, P.D.Laible, P.J.Kenis. X-Ray Transparent Microfluidic Chip For Mesophase-Based Crystallization of Membrane Proteins and on-Chip Structure Determination. Cryst.Growth Des. V. 14 4886 2014.
ISSN: ISSN 1528-7483
PubMed: 25285049
DOI: 10.1021/CG5011488