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Magnesium in PDB 2uwt: X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset

Protein crystallography data

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset, PDB code: 2uwt 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) 121.27 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 139.530, 139.530, 184.550, 90.00, 90.00, 120.00
R / Rfree (%) 19.6 / 21.9

Other elements in 2uwt:

The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset 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 6.5 in the Charge-Separated State 2ND Dataset (pdb code 2uwt). 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 6.5 in the Charge-Separated State 2ND Dataset, PDB code: 2uwt:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2uwt

Go back to Magnesium Binding Sites List in 2uwt
Magnesium binding site 1 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset


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 6.5 in the Charge-Separated State 2ND Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1282

b:29.9
occ:1.00
MG L:BCL1282 0.0 29.9 1.0
ND L:BCL1282 2.0 28.0 1.0
NB L:BCL1282 2.0 27.2 1.0
NC L:BCL1282 2.1 28.8 1.0
NA L:BCL1282 2.1 29.0 1.0
NE2 L:HIS173 2.4 23.6 1.0
C4D L:BCL1282 2.9 29.1 1.0
C1C L:BCL1282 3.0 27.1 1.0
C4C L:BCL1282 3.0 26.6 1.0
C4A L:BCL1282 3.0 27.7 1.0
C4B L:BCL1282 3.1 28.9 1.0
C1B L:BCL1282 3.1 26.6 1.0
C1D L:BCL1282 3.1 29.2 1.0
C1A L:BCL1282 3.1 30.1 1.0
CE1 L:HIS173 3.2 22.2 1.0
OBB M:BCL1304 3.3 33.8 1.0
CHC L:BCL1282 3.4 28.0 1.0
CHB L:BCL1282 3.4 27.3 1.0
CHD L:BCL1282 3.4 25.4 1.0
CD2 L:HIS173 3.5 22.6 1.0
CHA L:BCL1282 3.5 29.6 1.0
CAB M:BCL1304 3.5 30.0 1.0
CBB M:BCL1304 3.9 27.0 1.0
C3D L:BCL1282 4.1 28.4 1.0
C2D L:BCL1282 4.2 29.3 1.0
C2B L:BCL1282 4.2 28.6 1.0
C3B L:BCL1282 4.2 27.3 1.0
C3B M:BCL1304 4.3 28.0 1.0
C2C L:BCL1282 4.3 25.2 1.0
C3C L:BCL1282 4.4 24.1 1.0
C3A L:BCL1282 4.4 28.8 1.0
ND1 L:HIS173 4.4 22.9 1.0
C2A L:BCL1282 4.5 30.7 1.0
CG L:HIS173 4.6 26.8 1.0
CD1 L:PHE167 4.8 31.2 1.0
CBD L:BCL1282 4.9 28.7 1.0
C2B M:BCL1304 5.0 25.8 1.0

Magnesium binding site 2 out of 4 in 2uwt

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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 6.5 in the Charge-Separated State 2ND Dataset


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 6.5 in the Charge-Separated State 2ND Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg1283

b:27.5
occ:1.00
MG L:BCL1283 0.0 27.5 1.0
NE2 L:HIS153 2.0 32.6 1.0
ND L:BCL1283 2.0 23.3 1.0
NB L:BCL1283 2.0 25.9 1.0
NC L:BCL1283 2.1 25.4 1.0
NA L:BCL1283 2.1 24.8 1.0
C4D L:BCL1283 2.9 25.0 1.0
C1C L:BCL1283 3.0 27.9 1.0
CD2 L:HIS153 3.0 33.4 1.0
C4A L:BCL1283 3.0 24.5 1.0
CE1 L:HIS153 3.0 35.0 1.0
C4C L:BCL1283 3.1 25.0 1.0
C4B L:BCL1283 3.1 29.3 1.0
C1D L:BCL1283 3.1 24.2 1.0
C1B L:BCL1283 3.1 25.3 1.0
C1A L:BCL1283 3.1 25.8 1.0
CHC L:BCL1283 3.4 28.1 1.0
CHB L:BCL1283 3.4 23.0 1.0
CHA L:BCL1283 3.4 25.6 1.0
CHD L:BCL1283 3.5 23.8 1.0
C3D L:BCL1283 4.1 23.4 1.0
ND1 L:HIS153 4.2 31.6 1.0
CG L:HIS153 4.2 34.3 1.0
C2D L:BCL1283 4.2 25.9 1.0
C3B L:BCL1283 4.3 27.7 1.0
C2B L:BCL1283 4.3 27.8 1.0
C3A L:BCL1283 4.3 25.0 1.0
C2C L:BCL1283 4.3 28.3 1.0
C3C L:BCL1283 4.4 26.3 1.0
C2A L:BCL1283 4.4 25.9 1.0
OBB L:BPH1284 4.5 36.5 1.0
CE2 M:TYR210 4.6 31.7 1.0
CBC L:BCL1283 4.7 27.0 1.0
CBA L:BCL1283 4.8 29.7 1.0
C20 L:BPH1284 4.8 29.8 1.0
CD1 L:LEU154 4.8 33.1 1.0
CBD L:BCL1283 4.9 27.4 1.0

Magnesium binding site 3 out of 4 in 2uwt

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Magnesium binding site 3 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset


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 6.5 in the Charge-Separated State 2ND Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1303

b:28.7
occ:1.00
MG M:BCL1303 0.0 28.7 1.0
ND M:BCL1303 2.0 24.7 1.0
NB M:BCL1303 2.0 26.9 1.0
NE2 M:HIS182 2.0 35.6 1.0
NC M:BCL1303 2.0 25.9 1.0
NA M:BCL1303 2.0 26.1 1.0
C4D M:BCL1303 2.9 26.0 1.0
C4C M:BCL1303 3.0 26.4 1.0
CD2 M:HIS182 3.0 36.3 1.0
C1C M:BCL1303 3.0 25.2 1.0
C4B M:BCL1303 3.0 28.9 1.0
C4A M:BCL1303 3.0 29.3 1.0
CE1 M:HIS182 3.0 34.5 1.0
C1B M:BCL1303 3.1 28.2 1.0
C1D M:BCL1303 3.1 24.1 1.0
C1A M:BCL1303 3.1 28.0 1.0
CHC M:BCL1303 3.3 25.8 1.0
CHA M:BCL1303 3.4 27.1 1.0
CHB M:BCL1303 3.4 26.3 1.0
CHD M:BCL1303 3.4 23.6 1.0
C3D M:BCL1303 4.1 24.8 1.0
ND1 M:HIS182 4.1 34.8 1.0
CG M:HIS182 4.2 33.5 1.0
C2D M:BCL1303 4.2 23.6 1.0
C3B M:BCL1303 4.2 28.8 1.0
C2B M:BCL1303 4.2 28.1 1.0
C3C M:BCL1303 4.3 26.6 1.0
C2C M:BCL1303 4.3 26.2 1.0
C3A M:BCL1303 4.3 30.9 1.0
C2A M:BCL1303 4.4 30.3 1.0
OBB M:BPH1312 4.5 38.6 1.0
CE2 L:PHE181 4.9 31.1 1.0
CBD M:BCL1303 4.9 28.5 1.0
C18 M:SPO1314 4.9 32.2 1.0
CBA M:BCL1303 5.0 40.5 1.0

Magnesium binding site 4 out of 4 in 2uwt

Go back to Magnesium Binding Sites List in 2uwt
Magnesium binding site 4 out of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 6.5 in the Charge-Separated State 2ND Dataset


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 6.5 in the Charge-Separated State 2ND Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg1304

b:26.7
occ:1.00
MG M:BCL1304 0.0 26.7 1.0
NB M:BCL1304 2.0 26.0 1.0
NE2 M:HIS202 2.0 29.3 1.0
ND M:BCL1304 2.0 24.6 1.0
NC M:BCL1304 2.1 26.6 1.0
NA M:BCL1304 2.1 26.4 1.0
C4D M:BCL1304 2.9 26.0 1.0
CE1 M:HIS202 3.0 29.2 1.0
C1C M:BCL1304 3.0 27.1 1.0
C4B M:BCL1304 3.0 28.2 1.0
C1B M:BCL1304 3.1 26.0 1.0
C4C M:BCL1304 3.1 26.4 1.0
C4A M:BCL1304 3.1 25.7 1.0
C1A M:BCL1304 3.1 25.6 1.0
CD2 M:HIS202 3.1 28.3 1.0
C1D M:BCL1304 3.1 27.1 1.0
CHC M:BCL1304 3.3 26.7 1.0
CHB M:BCL1304 3.4 25.3 1.0
CHA M:BCL1304 3.4 25.8 1.0
CHD M:BCL1304 3.5 26.7 1.0
CBB L:BCL1282 3.6 30.5 1.0
CAB L:BCL1282 3.7 30.5 1.0
OBB L:BCL1282 3.8 30.8 1.0
ND1 M:HIS202 4.1 24.5 1.0
C3D M:BCL1304 4.1 26.9 1.0
C3B M:BCL1304 4.2 28.0 1.0
C2B M:BCL1304 4.2 25.8 1.0
CG M:HIS202 4.2 27.7 1.0
C2D M:BCL1304 4.3 26.9 1.0
C2C M:BCL1304 4.3 28.5 1.0
C3C M:BCL1304 4.4 28.6 1.0
C3A M:BCL1304 4.4 27.6 1.0
C3B L:BCL1282 4.4 27.3 1.0
C2A M:BCL1304 4.4 27.1 1.0
CBD M:BCL1304 4.9 28.2 1.0
CMC M:BCL1304 5.0 26.2 1.0
CD1 M:ILE206 5.0 29.3 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: Mon Dec 14 07:39:37 2020

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