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Magnesium in PDB 2wsf: Improved Model of Plant Photosystem I

Protein crystallography data

The structure of Improved Model of Plant Photosystem I, PDB code: 2wsf was solved by A.Amunts, H.Toporik, A.Borovikov, N.Nelson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.48
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 120.200, 190.200, 130.300, 90.00, 91.53, 90.00
R / Rfree (%) 39.1 / 42.5

Other elements in 2wsf:

The structure of Improved Model of Plant Photosystem I also contains other interesting chemical elements:

Iron (Fe) 12 atoms

Magnesium Binding Sites:

Magnesium binding site 1 out of 173 in 2wsf

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Magnesium binding site 1 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg201

b:59.1
occ:1.00
MG 1:CLA201 0.0 59.1 1.0
NA 1:CLA201 2.0 10.7 1.0
ND 1:CLA201 2.0 60.0 1.0
NB 1:CLA201 2.0 35.9 1.0
NC 1:CLA201 2.1 58.2 1.0
C4A 1:CLA201 2.9 46.4 1.0
C4D 1:CLA201 2.9 60.0 1.0
C1A 1:CLA201 3.0 2.0 1.0
C1B 1:CLA201 3.0 48.1 1.0
C4B 1:CLA201 3.0 56.7 1.0
C1C 1:CLA201 3.1 60.0 1.0
C4C 1:CLA201 3.1 14.2 1.0
C1D 1:CLA201 3.1 36.7 1.0
CHB 1:CLA201 3.3 2.0 1.0
CHA 1:CLA201 3.4 51.5 1.0
CHC 1:CLA201 3.6 60.0 1.0
CHD 1:CLA201 3.7 2.0 1.0
C3D 1:CLA201 4.1 60.0 1.0
C3B 1:CLA201 4.2 60.0 1.0
C2D 1:CLA201 4.2 43.3 1.0
C2B 1:CLA201 4.2 60.0 1.0
C2C 1:CLA201 4.2 60.0 1.0
C3A 1:CLA201 4.3 60.0 1.0
C3C 1:CLA201 4.3 60.0 1.0
C2A 1:CLA201 4.3 60.0 1.0
OE2 1:GLU142 4.5 24.8 1.0
CBD 1:CLA201 4.9 60.0 1.0

Magnesium binding site 2 out of 173 in 2wsf

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Magnesium binding site 2 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg202

b:52.9
occ:1.00
MG 1:CLA202 0.0 52.9 1.0
NA 1:CLA202 2.0 19.4 1.0
ND 1:CLA202 2.0 2.0 1.0
NB 1:CLA202 2.0 45.3 1.0
NC 1:CLA202 2.1 60.0 1.0
ND2 1:ASN150 2.7 23.1 1.0
C4D 1:CLA202 2.9 2.0 1.0
C4A 1:CLA202 3.0 20.4 1.0
C1A 1:CLA202 3.0 2.0 1.0
C1B 1:CLA202 3.0 15.0 1.0
C1C 1:CLA202 3.1 56.1 1.0
C4B 1:CLA202 3.1 28.0 1.0
C4C 1:CLA202 3.1 31.7 1.0
C1D 1:CLA202 3.1 4.7 1.0
CHB 1:CLA202 3.3 2.0 1.0
CHA 1:CLA202 3.4 2.0 1.0
CHC 1:CLA202 3.6 2.0 1.0
CHD 1:CLA202 3.7 41.1 1.0
CG 1:ASN150 3.9 22.7 1.0
C3D 1:CLA202 4.1 56.2 1.0
C2B 1:CLA202 4.3 50.9 1.0
C3B 1:CLA202 4.3 34.4 1.0
C2C 1:CLA202 4.3 60.0 1.0
C2D 1:CLA202 4.3 60.0 1.0
C3C 1:CLA202 4.3 11.0 1.0
C2A 1:CLA202 4.3 33.0 1.0
C3A 1:CLA202 4.3 60.0 1.0
OD1 1:ASN150 4.4 22.4 1.0
CBD 1:CLA202 4.9 28.3 1.0

Magnesium binding site 3 out of 173 in 2wsf

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Magnesium binding site 3 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg203

b:34.7
occ:1.00
MG 1:CLA203 0.0 34.7 1.0
NA 1:CLA203 2.0 60.0 1.0
ND 1:CLA203 2.0 39.4 1.0
NC 1:CLA203 2.0 26.1 1.0
NB 1:CLA203 2.0 60.0 1.0
C1A 1:CLA203 2.9 17.6 1.0
C4D 1:CLA203 2.9 60.0 1.0
C4A 1:CLA203 3.0 19.5 1.0
C4C 1:CLA203 3.0 2.0 1.0
C1C 1:CLA203 3.0 60.0 1.0
C1B 1:CLA203 3.0 27.6 1.0
C4B 1:CLA203 3.1 56.7 1.0
C1D 1:CLA203 3.1 13.8 1.0
CHB 1:CLA203 3.4 2.0 1.0
CHA 1:CLA203 3.4 6.0 1.0
CHC 1:CLA203 3.6 2.0 1.0
CHD 1:CLA203 3.6 2.0 1.0
C3D 1:CLA203 4.1 44.2 1.0
C3C 1:CLA203 4.2 11.0 1.0
C2C 1:CLA203 4.2 52.6 1.0
C3B 1:CLA203 4.2 28.3 1.0
C2A 1:CLA203 4.2 30.1 1.0
C3A 1:CLA203 4.3 43.8 1.0
C2B 1:CLA203 4.3 11.1 1.0
C2D 1:CLA203 4.3 38.5 1.0
CD1 1:PHE161 4.6 24.3 1.0
CBD 1:CLA203 4.9 2.0 1.0
CAA 1:CLA203 5.0 60.0 1.0
CB 1:PHE161 5.0 23.9 1.0

Magnesium binding site 4 out of 173 in 2wsf

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Magnesium binding site 4 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg204

b:12.4
occ:1.00
MG 1:CLA204 0.0 12.4 1.0
NA 1:CLA204 2.0 2.0 1.0
ND 1:CLA204 2.0 2.5 1.0
NB 1:CLA204 2.0 2.0 1.0
NC 1:CLA204 2.0 60.0 1.0
C1A 1:CLA204 2.9 2.0 1.0
C4D 1:CLA204 2.9 35.0 1.0
C4A 1:CLA204 2.9 14.4 1.0
C4B 1:CLA204 3.0 20.9 1.0
C1B 1:CLA204 3.0 9.4 1.0
C1C 1:CLA204 3.0 60.0 1.0
C4C 1:CLA204 3.1 30.8 1.0
C1D 1:CLA204 3.1 9.6 1.0
CHA 1:CLA204 3.3 54.5 1.0
CHB 1:CLA204 3.3 2.0 1.0
CHC 1:CLA204 3.6 59.4 1.0
CHD 1:CLA204 3.6 33.3 1.0
C3D 1:CLA204 4.1 43.7 1.0
CBA 1:CLA204 4.1 60.0 1.0
C3B 1:CLA204 4.2 60.0 1.0
C2A 1:CLA204 4.2 6.9 1.0
C2C 1:CLA204 4.2 60.0 1.0
C3C 1:CLA204 4.2 36.7 1.0
C2B 1:CLA204 4.2 60.0 1.0
C2D 1:CLA204 4.3 2.0 1.0
C3A 1:CLA204 4.3 60.0 1.0
C1 1:CLA204 4.3 30.9 1.0
CGA 1:CLA204 4.3 60.0 1.0
O1A 1:CLA204 4.6 11.8 1.0
CBD 1:CLA204 4.8 58.8 1.0
CAA 1:CLA204 4.8 48.5 1.0
O2A 1:CLA204 4.9 15.4 1.0

Magnesium binding site 5 out of 173 in 2wsf

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Magnesium binding site 5 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg205

b:60.0
occ:1.00
MG 1:CLA205 0.0 60.0 1.0
NA 1:CLA205 2.0 2.0 1.0
ND 1:CLA205 2.0 60.0 1.0
NB 1:CLA205 2.1 60.0 1.0
NC 1:CLA205 2.1 49.5 1.0
C4D 1:CLA205 2.9 49.7 1.0
C1A 1:CLA205 3.0 2.0 1.0
C4A 1:CLA205 3.0 33.9 1.0
C1B 1:CLA205 3.1 48.8 1.0
C4B 1:CLA205 3.1 12.9 1.0
C1C 1:CLA205 3.1 2.0 1.0
C4C 1:CLA205 3.1 60.0 1.0
C1D 1:CLA205 3.2 60.0 1.0
CHB 1:CLA205 3.4 56.6 1.0
CHA 1:CLA205 3.4 52.4 1.0
CHC 1:CLA205 3.6 2.0 1.0
O 1:ALA53 3.6 23.7 1.0
CA 1:GLY56 3.6 23.4 1.0
CHD 1:CLA205 3.7 7.0 1.0
C3D 1:CLA205 4.2 60.0 1.0
N 1:GLY56 4.2 23.5 1.0
C3B 1:CLA205 4.3 4.6 1.0
C2C 1:CLA205 4.3 23.1 1.0
C2B 1:CLA205 4.3 60.0 1.0
C3C 1:CLA205 4.3 60.0 1.0
C2D 1:CLA205 4.3 60.0 1.0
C2A 1:CLA205 4.3 43.6 1.0
C3A 1:CLA205 4.3 60.0 1.0
C 1:ALA53 4.7 23.8 1.0
CBD 1:CLA205 4.9 60.0 1.0
C 1:GLY56 4.9 23.5 1.0

Magnesium binding site 6 out of 173 in 2wsf

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Magnesium binding site 6 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg206

b:21.9
occ:1.00
MG 1:CLA206 0.0 21.9 1.0
NA 1:CLA206 2.0 34.9 1.0
ND 1:CLA206 2.0 36.0 1.0
NB 1:CLA206 2.0 58.8 1.0
NC 1:CLA206 2.1 32.0 1.0
C4D 1:CLA206 2.9 37.8 1.0
C1A 1:CLA206 3.0 48.4 1.0
C4A 1:CLA206 3.0 60.0 1.0
C1B 1:CLA206 3.1 60.0 1.0
C4B 1:CLA206 3.1 60.0 1.0
C1C 1:CLA206 3.1 60.0 1.0
C4C 1:CLA206 3.1 57.9 1.0
C1D 1:CLA206 3.1 15.4 1.0
CHB 1:CLA206 3.4 60.0 1.0
CHA 1:CLA206 3.4 6.4 1.0
CHC 1:CLA206 3.6 22.4 1.0
CHD 1:CLA206 3.7 27.8 1.0
C3D 1:CLA206 4.2 60.0 1.0
C3B 1:CLA206 4.3 21.9 1.0
C2C 1:CLA206 4.3 60.0 1.0
C2B 1:CLA206 4.3 41.1 1.0
C2D 1:CLA206 4.3 26.4 1.0
C3C 1:CLA206 4.3 59.5 1.0
C2A 1:CLA206 4.3 60.0 1.0
C3A 1:CLA206 4.3 31.9 1.0
C7 1:CLA206 4.4 51.9 1.0
C8 1:CLA206 4.7 60.0 1.0
CBD 1:CLA206 4.8 50.2 1.0

Magnesium binding site 7 out of 173 in 2wsf

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Magnesium binding site 7 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg207

b:14.2
occ:1.00
MG 1:CLA207 0.0 14.2 1.0
NA 1:CLA207 2.0 43.2 1.0
ND 1:CLA207 2.0 37.4 1.0
NB 1:CLA207 2.1 60.0 1.0
NC 1:CLA207 2.1 2.0 1.0
C1A 1:CLA207 2.9 17.7 1.0
C4D 1:CLA207 3.0 7.8 1.0
C4A 1:CLA207 3.0 60.0 1.0
C1C 1:CLA207 3.1 25.5 1.0
C1B 1:CLA207 3.1 47.0 1.0
C4B 1:CLA207 3.1 60.0 1.0
C4C 1:CLA207 3.1 2.5 1.0
C1D 1:CLA207 3.2 60.0 1.0
CHA 1:CLA207 3.4 2.0 1.0
CHB 1:CLA207 3.4 30.2 1.0
CHC 1:CLA207 3.6 51.7 1.0
CHD 1:CLA207 3.7 52.5 1.0
C3D 1:CLA207 4.2 24.6 1.0
C2A 1:CLA207 4.2 58.3 1.0
C3B 1:CLA207 4.3 60.0 1.0
C2C 1:CLA207 4.3 22.3 1.0
C3C 1:CLA207 4.3 30.5 1.0
C2B 1:CLA207 4.3 60.0 1.0
C2D 1:CLA207 4.3 5.2 1.0
C3A 1:CLA207 4.4 60.0 1.0
CBD 1:CLA207 4.9 58.6 1.0
CBA 1:CLA207 5.0 41.2 1.0

Magnesium binding site 8 out of 173 in 2wsf

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Magnesium binding site 8 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg208

b:2.0
occ:1.00
MG 1:CLA208 0.0 2.0 1.0
NA 1:CLA208 2.0 60.0 1.0
ND 1:CLA208 2.0 46.1 1.0
NB 1:CLA208 2.1 48.9 1.0
NC 1:CLA208 2.1 51.2 1.0
C1A 1:CLA208 2.9 46.1 1.0
C4A 1:CLA208 3.0 20.9 1.0
C4D 1:CLA208 3.0 19.5 1.0
C1C 1:CLA208 3.1 60.0 1.0
C4B 1:CLA208 3.1 31.4 1.0
C1B 1:CLA208 3.1 51.5 1.0
C4C 1:CLA208 3.1 60.0 1.0
C1D 1:CLA208 3.1 55.8 1.0
CHB 1:CLA208 3.4 3.8 1.0
CHA 1:CLA208 3.4 20.9 1.0
CHC 1:CLA208 3.6 58.8 1.0
CHD 1:CLA208 3.6 2.0 1.0
C2C 1:CLA208 4.3 60.0 1.0
C3B 1:CLA208 4.3 4.7 1.0
C3D 1:CLA208 4.3 2.0 1.0
C2D 1:CLA208 4.3 19.8 1.0
C3C 1:CLA208 4.3 60.0 1.0
C2A 1:CLA208 4.3 45.7 1.0
C2B 1:CLA208 4.3 2.0 1.0
C3A 1:CLA208 4.3 2.0 1.0

Magnesium binding site 9 out of 173 in 2wsf

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Magnesium binding site 9 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg209

b:23.9
occ:1.00
MG 1:CLA209 0.0 23.9 1.0
NA 1:CLA209 2.0 39.1 1.0
ND 1:CLA209 2.0 29.5 1.0
NB 1:CLA209 2.0 23.4 1.0
NC 1:CLA209 2.1 49.0 1.0
C1A 1:CLA209 2.9 29.2 1.0
C4A 1:CLA209 3.0 45.6 1.0
C4D 1:CLA209 3.0 60.0 1.0
C4B 1:CLA209 3.0 60.0 1.0
C1B 1:CLA209 3.0 28.6 1.0
C1C 1:CLA209 3.1 26.7 1.0
C1D 1:CLA209 3.1 60.0 1.0
C4C 1:CLA209 3.1 60.0 1.0
CG2 1:VAL108 3.3 23.7 1.0
CHB 1:CLA209 3.4 57.8 1.0
CHA 1:CLA209 3.4 28.3 1.0
CHC 1:CLA209 3.5 60.0 1.0
CHD 1:CLA209 3.6 60.0 1.0
C3B 1:CLA209 4.2 37.9 1.0
C2D 1:CLA209 4.2 52.0 1.0
C3D 1:CLA209 4.2 60.0 1.0
C2A 1:CLA209 4.2 32.0 1.0
C2C 1:CLA209 4.2 11.6 1.0
C2B 1:CLA209 4.3 19.2 1.0
C3C 1:CLA209 4.3 20.2 1.0
C3A 1:CLA209 4.3 56.7 1.0
CB 1:VAL108 4.6 23.6 1.0

Magnesium binding site 10 out of 173 in 2wsf

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Magnesium binding site 10 out of 173 in the Improved Model of Plant Photosystem I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Improved Model of Plant Photosystem I within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Mg210

b:59.5
occ:1.00
MG 1:CLA210 0.0 59.5 1.0
NA 1:CLA210 2.0 45.9 1.0
ND 1:CLA210 2.0 60.0 1.0
NB 1:CLA210 2.1 30.4 1.0
NC 1:CLA210 2.1 49.0 1.0
OE1 1:GLU109 2.2 22.7 1.0
C4D 1:CLA210 2.9 60.0 1.0
C1A 1:CLA210 3.0 31.0 1.0
C4A 1:CLA210 3.0 19.0 1.0
C1B 1:CLA210 3.1 60.0 1.0
C1C 1:CLA210 3.1 60.0 1.0
C4B 1:CLA210 3.1 43.5 1.0
C4C 1:CLA210 3.1 5.0 1.0
C1D 1:CLA210 3.2 60.0 1.0
CD 1:GLU109 3.3 23.2 1.0
CHB 1:CLA210 3.4 24.5 1.0
CHA 1:CLA210 3.4 2.0 1.0
CHC 1:CLA210 3.6 60.0 1.0
CHD 1:CLA210 3.7 40.6 1.0
OE2 1:GLU109 3.9 23.3 1.0
C3D 1:CLA210 4.2 60.0 1.0
C2C 1:CLA210 4.3 60.0 1.0
C3B 1:CLA210 4.3 11.8 1.0
C2B 1:CLA210 4.3 28.6 1.0
C3C 1:CLA210 4.3 17.8 1.0
C2D 1:CLA210 4.3 60.0 1.0
C2A 1:CLA210 4.3 25.8 1.0
C3A 1:CLA210 4.3 60.0 1.0
CG 1:GLU109 4.4 23.5 1.0
CBB 1:CLA204 4.4 60.0 1.0
CAB 1:CLA204 4.5 60.0 1.0
CBD 1:CLA210 4.9 30.1 1.0
C3B 1:CLA204 4.9 60.0 1.0
NH2 1:ARG112 4.9 26.4 1.0

Reference:

A.Amunts, H.Toporik, A.Borovikova, N.Nelson. Structure Determination and Improved Model of Plant Photosystem I. J. Biol. Chem. V. 285 3478 2010.
ISSN: ESSN 1083-351X
PubMed: 19923216
DOI: 10.1074/JBC.M109.072645
Page generated: Wed Aug 14 06:13:16 2024

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