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Magnesium in PDB 2ux3: X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral State

Protein crystallography data

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral State, PDB code: 2ux3 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 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 139.448, 139.448, 184.577, 90.00, 90.00, 120.00
R / Rfree (%) 18.5 / 22.1

Other elements in 2ux3:

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral 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 9 in the Neutral State (pdb code 2ux3). 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 9 in the Neutral State, PDB code: 2ux3:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2ux3

Go back to Magnesium Binding Sites List in 2ux3
Magnesium binding site 1 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral 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 9 in the Neutral State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1282

b:33.0
occ:1.00
MG L:BCL1282 0.0 33.0 1.0
ND L:BCL1282 2.0 30.6 1.0
NE2 L:HIS153 2.0 38.5 1.0
NB L:BCL1282 2.0 33.4 1.0
NC L:BCL1282 2.1 32.2 1.0
NA L:BCL1282 2.1 31.9 1.0
C4D L:BCL1282 2.9 32.8 1.0
C1C L:BCL1282 3.0 32.5 1.0
C4A L:BCL1282 3.0 31.6 1.0
CD2 L:HIS153 3.0 38.7 1.0
CE1 L:HIS153 3.0 39.0 1.0
C4C L:BCL1282 3.0 30.7 1.0
C4B L:BCL1282 3.1 35.6 1.0
C1D L:BCL1282 3.1 31.0 1.0
C1B L:BCL1282 3.1 32.6 1.0
C1A L:BCL1282 3.1 32.7 1.0
CHC L:BCL1282 3.3 34.5 1.0
CHA L:BCL1282 3.4 33.2 1.0
CHB L:BCL1282 3.4 31.2 1.0
CHD L:BCL1282 3.5 29.4 1.0
C3D L:BCL1282 4.1 31.5 1.0
ND1 L:HIS153 4.1 38.4 1.0
CG L:HIS153 4.2 39.3 1.0
C2D L:BCL1282 4.2 31.6 1.0
C2B L:BCL1282 4.2 35.1 1.0
C3B L:BCL1282 4.2 34.8 1.0
C2C L:BCL1282 4.3 34.5 1.0
C3A L:BCL1282 4.3 33.1 1.0
C3C L:BCL1282 4.4 31.5 1.0
OBB L:BPH1284 4.4 40.3 1.0
C2A L:BCL1282 4.4 33.4 1.0
CE2 M:TYR210 4.7 39.9 1.0
C20 L:BPH1284 4.7 41.3 1.0
CBC L:BCL1282 4.8 31.7 1.0
CBA L:BCL1282 4.9 38.7 1.0
CD1 L:LEU154 4.9 41.2 1.0
CBD L:BCL1282 4.9 35.5 1.0
CMC L:BCL1282 5.0 36.1 1.0

Magnesium binding site 2 out of 4 in 2ux3

Go back to Magnesium Binding Sites List in 2ux3
Magnesium binding site 2 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral 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 9 in the Neutral State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1286

b:37.7
occ:1.00
MG L:BCL1286 0.0 37.7 1.0
ND L:BCL1286 2.0 37.6 1.0
NB L:BCL1286 2.1 36.9 1.0
NC L:BCL1286 2.1 37.1 1.0
NA L:BCL1286 2.1 38.8 1.0
NE2 L:HIS173 2.3 31.6 1.0
C4D L:BCL1286 2.9 38.6 1.0
C1C L:BCL1286 3.0 36.8 1.0
C4C L:BCL1286 3.0 34.4 1.0
C4A L:BCL1286 3.0 37.4 1.0
C1B L:BCL1286 3.1 36.1 1.0
C1D L:BCL1286 3.1 38.6 1.0
C4B L:BCL1286 3.1 36.8 1.0
C1A L:BCL1286 3.1 38.9 1.0
CE1 L:HIS173 3.1 32.9 1.0
CHC L:BCL1286 3.3 36.9 1.0
OBB M:BCL1304 3.3 39.1 1.0
CHB L:BCL1286 3.4 36.3 1.0
CD2 L:HIS173 3.4 32.8 1.0
CHD L:BCL1286 3.4 35.5 1.0
CHA L:BCL1286 3.5 38.4 1.0
CAB M:BCL1304 3.6 36.1 1.0
CBB M:BCL1304 3.9 34.5 1.0
C3D L:BCL1286 4.1 38.5 1.0
C2D L:BCL1286 4.2 38.8 1.0
C2B L:BCL1286 4.2 37.3 1.0
C3B L:BCL1286 4.3 35.7 1.0
C2C L:BCL1286 4.3 35.1 1.0
ND1 L:HIS173 4.3 33.9 1.0
C3A L:BCL1286 4.3 38.4 1.0
C3C L:BCL1286 4.4 33.5 1.0
C3B M:BCL1304 4.4 35.3 1.0
C2A L:BCL1286 4.4 38.8 1.0
CG L:HIS173 4.5 35.4 1.0
CD1 L:PHE167 4.7 41.2 1.0
CBD L:BCL1286 4.9 36.0 1.0

Magnesium binding site 3 out of 4 in 2ux3

Go back to Magnesium Binding Sites List in 2ux3
Magnesium binding site 3 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral 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 9 in the Neutral State within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1303

b:35.4
occ:1.00
MG M:BCL1303 0.0 35.4 1.0
NE2 M:HIS182 2.0 42.0 1.0
ND M:BCL1303 2.0 31.1 1.0
NA M:BCL1303 2.0 33.8 1.0
NC M:BCL1303 2.0 31.2 1.0
NB M:BCL1303 2.0 35.0 1.0
C4D M:BCL1303 2.9 32.8 1.0
C1C M:BCL1303 3.0 33.8 1.0
CE1 M:HIS182 3.0 42.7 1.0
C4C M:BCL1303 3.0 31.9 1.0
CD2 M:HIS182 3.0 43.1 1.0
C4A M:BCL1303 3.0 36.3 1.0
C4B M:BCL1303 3.0 35.6 1.0
C1D M:BCL1303 3.1 31.7 1.0
C1A M:BCL1303 3.1 36.1 1.0
C1B M:BCL1303 3.1 35.3 1.0
CHC M:BCL1303 3.3 34.2 1.0
CHA M:BCL1303 3.4 34.8 1.0
CHB M:BCL1303 3.4 34.3 1.0
CHD M:BCL1303 3.4 30.3 1.0
C3D M:BCL1303 4.0 32.8 1.0
ND1 M:HIS182 4.1 41.9 1.0
C2D M:BCL1303 4.2 31.7 1.0
CG M:HIS182 4.2 42.1 1.0
C3B M:BCL1303 4.2 36.3 1.0
C2B M:BCL1303 4.2 35.0 1.0
C2C M:BCL1303 4.3 34.9 1.0
C3A M:BCL1303 4.3 36.7 1.0
C3C M:BCL1303 4.3 33.8 1.0
C2A M:BCL1303 4.4 37.5 1.0
OBB M:BPH1313 4.5 46.4 1.0
CE2 L:PHE181 4.8 37.4 1.0
CBD M:BCL1303 4.9 36.5 1.0
CBA M:BCL1303 4.9 47.2 1.0
C18 M:SPO1315 5.0 46.9 1.0

Magnesium binding site 4 out of 4 in 2ux3

Go back to Magnesium Binding Sites List in 2ux3
Magnesium binding site 4 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 9 in the Neutral 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 9 in the Neutral State within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1304

b:35.9
occ:1.00
MG M:BCL1304 0.0 35.9 1.0
NE2 M:HIS202 2.0 37.3 1.0
NB M:BCL1304 2.0 33.2 1.0
ND M:BCL1304 2.0 34.6 1.0
NC M:BCL1304 2.1 34.8 1.0
NA M:BCL1304 2.1 35.1 1.0
CE1 M:HIS202 2.9 35.9 1.0
C4D M:BCL1304 2.9 36.5 1.0
C1C M:BCL1304 3.0 34.2 1.0
C4B M:BCL1304 3.0 36.4 1.0
C4C M:BCL1304 3.1 34.2 1.0
C1B M:BCL1304 3.1 34.6 1.0
C4A M:BCL1304 3.1 34.3 1.0
C1D M:BCL1304 3.1 36.8 1.0
C1A M:BCL1304 3.1 35.8 1.0
CD2 M:HIS202 3.1 36.2 1.0
CHC M:BCL1304 3.3 35.1 1.0
CHB M:BCL1304 3.4 34.9 1.0
CHA M:BCL1304 3.4 36.1 1.0
CHD M:BCL1304 3.5 35.8 1.0
CBB L:BCL1286 3.6 36.6 1.0
CAB L:BCL1286 3.7 38.5 1.0
OBB L:BCL1286 3.7 39.0 1.0
ND1 M:HIS202 4.1 33.4 1.0
C3D M:BCL1304 4.1 36.2 1.0
CG M:HIS202 4.2 34.4 1.0
C2B M:BCL1304 4.2 33.2 1.0
C3B M:BCL1304 4.2 35.3 1.0
C2D M:BCL1304 4.2 35.6 1.0
C2C M:BCL1304 4.3 35.1 1.0
C3C M:BCL1304 4.4 34.9 1.0
C3A M:BCL1304 4.4 36.0 1.0
C3B L:BCL1286 4.4 35.7 1.0
C2A M:BCL1304 4.5 36.3 1.0
CBD M:BCL1304 4.9 36.8 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 03:33:28 2024

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