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Magnesium in PDB 2j8d: X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State

Protein crystallography data

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State, PDB code: 2j8d was solved by J.Koepke, R.Diehm, G.Fritzsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 119.52 / 2.07
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 140.010, 140.010, 184.760, 90.00, 90.00, 120.00
R / Rfree (%) 19.7 / 21.8

Other elements in 2j8d:

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State also contains other interesting chemical elements:

Iron (Fe) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State (pdb code 2j8d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State, PDB code: 2j8d:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2j8d

Go back to Magnesium Binding Sites List in 2j8d
Magnesium binding site 1 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1282

b:18.0
occ:1.00
MG L:BCL1282 0.0 18.0 1.0
ND L:BCL1282 2.0 17.6 1.0
NB L:BCL1282 2.1 16.6 1.0
NC L:BCL1282 2.1 17.4 1.0
NA L:BCL1282 2.1 18.2 1.0
NE2 L:HIS173 2.2 15.2 1.0
C4D L:BCL1282 3.0 18.5 1.0
C4C L:BCL1282 3.0 16.6 1.0
C4A L:BCL1282 3.0 18.5 1.0
C1C L:BCL1282 3.1 17.5 1.0
C1D L:BCL1282 3.1 17.4 1.0
C1B L:BCL1282 3.1 16.5 1.0
C4B L:BCL1282 3.1 18.1 1.0
CE1 L:HIS173 3.1 15.4 1.0
C1A L:BCL1282 3.2 16.9 1.0
CD2 L:HIS173 3.3 12.2 1.0
CHD L:BCL1282 3.4 18.2 1.0
CHB L:BCL1282 3.4 15.6 1.0
CHC L:BCL1282 3.5 19.2 1.0
CHA L:BCL1282 3.5 17.6 1.0
OBB M:BCL1309 3.6 25.8 1.0
CAB M:BCL1309 3.7 19.8 1.0
CBB M:BCL1309 3.8 13.9 1.0
C3D L:BCL1282 4.1 18.2 1.0
C2D L:BCL1282 4.2 18.9 1.0
C2B L:BCL1282 4.2 18.5 1.0
C3B L:BCL1282 4.3 17.3 1.0
ND1 L:HIS173 4.3 14.4 1.0
C3A L:BCL1282 4.4 17.5 1.0
C3C L:BCL1282 4.4 16.4 1.0
C2C L:BCL1282 4.4 17.8 1.0
CG L:HIS173 4.4 15.5 1.0
C3B M:BCL1309 4.4 18.4 1.0
C2A L:BCL1282 4.5 17.5 1.0
CD1 L:PHE167 4.8 19.3 1.0
CBD L:BCL1282 5.0 16.2 1.0

Magnesium binding site 2 out of 4 in 2j8d

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Magnesium binding site 2 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1283

b:19.8
occ:1.00
MG L:BCL1283 0.0 19.8 1.0
ND L:BCL1283 2.0 15.9 1.0
NB L:BCL1283 2.0 18.0 1.0
NC L:BCL1283 2.1 17.1 1.0
NA L:BCL1283 2.1 17.5 1.0
CE1 L:HIS153 2.4 22.8 1.0
C4D L:BCL1283 2.9 17.2 1.0
C4C L:BCL1283 3.0 18.1 1.0
C4A L:BCL1283 3.1 18.9 1.0
C4B L:BCL1283 3.1 22.6 1.0
C1C L:BCL1283 3.1 18.5 1.0
C1B L:BCL1283 3.1 19.7 1.0
C1D L:BCL1283 3.1 18.4 1.0
C1A L:BCL1283 3.1 18.9 1.0
ND1 L:HIS153 3.2 23.8 1.0
CHD L:BCL1283 3.4 18.9 1.0
CHB L:BCL1283 3.4 16.1 1.0
CHC L:BCL1283 3.4 19.4 1.0
CHA L:BCL1283 3.4 18.6 1.0
NE2 L:HIS153 3.4 24.8 1.0
C3D L:BCL1283 4.1 17.4 1.0
C2D L:BCL1283 4.2 18.1 1.0
C2B L:BCL1283 4.2 19.6 1.0
C3B L:BCL1283 4.3 21.6 1.0
OBB L:BPH1287 4.3 26.6 1.0
C3C L:BCL1283 4.4 17.0 1.0
C3A L:BCL1283 4.4 18.9 1.0
C2C L:BCL1283 4.4 17.2 1.0
C2A L:BCL1283 4.4 19.2 1.0
CG L:HIS153 4.5 22.7 1.0
CD2 L:HIS153 4.6 21.4 1.0
CE2 M:TYR210 4.6 21.1 1.0
CBA L:BCL1283 4.8 18.2 1.0
CBC L:BCL1283 4.8 15.2 1.0
CD1 L:LEU154 4.8 24.9 1.0
CBD L:BCL1283 4.9 19.7 1.0
C20 L:BPH1287 4.9 20.9 1.0

Magnesium binding site 3 out of 4 in 2j8d

Go back to Magnesium Binding Sites List in 2j8d
Magnesium binding site 3 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1308

b:19.0
occ:1.00
MG M:BCL1308 0.0 19.0 1.0
ND M:BCL1308 2.0 17.0 1.0
NB M:BCL1308 2.0 20.1 1.0
NC M:BCL1308 2.0 18.7 1.0
NA M:BCL1308 2.0 18.2 1.0
NE2 M:HIS182 2.1 22.3 1.0
C4D M:BCL1308 2.9 15.2 1.0
C1C M:BCL1308 3.0 18.2 1.0
CD2 M:HIS182 3.0 23.1 1.0
C4A M:BCL1308 3.0 19.6 1.0
C4B M:BCL1308 3.0 19.6 1.0
C4C M:BCL1308 3.0 17.5 1.0
C1D M:BCL1308 3.1 14.0 1.0
C1B M:BCL1308 3.1 19.8 1.0
C1A M:BCL1308 3.1 17.1 1.0
CE1 M:HIS182 3.2 24.4 1.0
CHC M:BCL1308 3.4 17.6 1.0
CHA M:BCL1308 3.4 14.2 1.0
CHB M:BCL1308 3.4 20.4 1.0
CHD M:BCL1308 3.5 14.7 1.0
C3D M:BCL1308 4.1 13.0 1.0
C2D M:BCL1308 4.2 14.2 1.0
CG M:HIS182 4.2 23.4 1.0
C3B M:BCL1308 4.2 19.8 1.0
C2B M:BCL1308 4.2 19.4 1.0
ND1 M:HIS182 4.3 23.2 1.0
C2C M:BCL1308 4.3 17.9 1.0
C3A M:BCL1308 4.3 20.7 1.0
C3C M:BCL1308 4.4 19.1 1.0
C2A M:BCL1308 4.4 19.6 1.0
OBB M:BPH1317 4.5 29.8 1.0
CE2 L:PHE181 4.8 18.4 1.0
CBD M:BCL1308 4.9 17.2 1.0
CBA M:BCL1308 4.9 26.8 1.0

Magnesium binding site 4 out of 4 in 2j8d

Go back to Magnesium Binding Sites List in 2j8d
Magnesium binding site 4 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1309

b:19.5
occ:1.00
MG M:BCL1309 0.0 19.5 1.0
NB M:BCL1309 2.0 16.6 1.0
ND M:BCL1309 2.0 17.0 1.0
NC M:BCL1309 2.1 17.8 1.0
NA M:BCL1309 2.1 16.4 1.0
NE2 M:HIS202 2.1 18.7 1.0
C4D M:BCL1309 2.9 19.9 1.0
C1C M:BCL1309 3.0 18.0 1.0
CE1 M:HIS202 3.0 17.9 1.0
C4B M:BCL1309 3.1 17.8 1.0
C4C M:BCL1309 3.1 17.6 1.0
C1B M:BCL1309 3.1 16.7 1.0
C4A M:BCL1309 3.1 15.2 1.0
C1D M:BCL1309 3.1 19.3 1.0
C1A M:BCL1309 3.1 15.6 1.0
CD2 M:HIS202 3.2 19.9 1.0
CHC M:BCL1309 3.4 17.1 1.0
CHA M:BCL1309 3.5 16.4 1.0
CHB M:BCL1309 3.5 15.7 1.0
CHD M:BCL1309 3.5 17.2 1.0
CBB L:BCL1282 3.7 18.9 1.0
CAB L:BCL1282 3.7 18.7 1.0
OBB L:BCL1282 3.8 20.3 1.0
C3D M:BCL1309 4.1 18.9 1.0
ND1 M:HIS202 4.2 16.8 1.0
C2B M:BCL1309 4.2 17.3 1.0
C3B M:BCL1309 4.2 18.4 1.0
C2D M:BCL1309 4.3 19.6 1.0
CG M:HIS202 4.3 17.6 1.0
C2C M:BCL1309 4.3 17.9 1.0
C3C M:BCL1309 4.4 17.5 1.0
C3B L:BCL1282 4.4 17.3 1.0
C3A M:BCL1309 4.4 17.2 1.0
C2A M:BCL1309 4.5 16.9 1.0
CBD M:BCL1309 4.9 18.7 1.0

Reference:

J.Koepke, E.M.Krammer, A.R.Klingen, P.Sebban, G.M.Ullmann, G.Fritzsch. pH Modulates the Quinone Position in the Photosynthetic Reaction Center From Rhodobacter Sphaeroides in the Neutral and Charge Separated States. J.Mol.Biol. V. 371 396 2007.
ISSN: ISSN 0022-2836
PubMed: 17570397
DOI: 10.1016/J.JMB.2007.04.082
Page generated: Wed Aug 14 00:39:54 2024

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