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Magnesium in PDB 3gx7: Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam

Protein crystallography data

The structure of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam, PDB code: 3gx7 was solved by R.K.Montange, R.T.Batey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 62.630, 62.630, 159.615, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 27.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam (pdb code 3gx7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam, PDB code: 3gx7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 3gx7

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Magnesium binding site 1 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:89.0
occ:1.00
OP2 A:A33 3.8 90.0 1.0
OP2 A:G32 4.7 91.6 1.0
OP1 A:A33 4.9 93.1 1.0
P A:A33 4.9 93.3 1.0

Magnesium binding site 2 out of 6 in 3gx7

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Magnesium binding site 2 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:86.4
occ:1.00
O6 A:G71 2.9 0.8 1.0
O4 A:U80 3.1 55.4 1.0
O6 A:G79 3.6 81.4 1.0
C6 A:G71 4.1 0.7 1.0
N4 A:C72 4.2 90.1 1.0
C4 A:U80 4.2 67.7 1.0
N3 A:U80 4.5 74.0 1.0
O4 A:U81 4.5 82.2 1.0
N6 A:A70 4.5 0.6 1.0
C6 A:G79 4.7 83.5 1.0
C5 A:G71 4.9 96.0 1.0
N7 A:G71 4.9 90.5 1.0
C6 A:A70 4.9 0.3 1.0

Magnesium binding site 3 out of 6 in 3gx7

Go back to Magnesium Binding Sites List in 3gx7
Magnesium binding site 3 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg203

b:77.7
occ:1.00
N6 A:A83 4.3 0.5 1.0
O6 A:G82 4.4 94.2 1.0
N7 A:G82 4.4 96.5 1.0
N7 A:A83 4.6 0.4 1.0
C6 A:G82 4.9 94.7 1.0
C5 A:G82 4.9 96.4 1.0

Magnesium binding site 4 out of 6 in 3gx7

Go back to Magnesium Binding Sites List in 3gx7
Magnesium binding site 4 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg204

b:74.0
occ:1.00
O2 A:U64 3.1 79.2 1.0
O4 A:U67 3.1 88.9 1.0
O2' A:U64 3.3 73.5 1.0
C2 A:U64 4.0 78.2 1.0
C4 A:U67 4.1 83.1 1.0
N6 A:A24 4.1 84.7 1.0
C1' A:U64 4.3 78.1 1.0
C2' A:U64 4.4 74.2 1.0
C5 A:U67 4.5 79.9 1.0
O6 A:G68 4.6 80.0 1.0
N4 A:C25 4.6 72.0 1.0
N1 A:U64 4.6 77.5 1.0
OP2 A:C66 4.6 73.1 1.0
O3' A:U64 4.6 60.0 1.0
N7 A:A24 4.9 75.7 1.0

Magnesium binding site 5 out of 6 in 3gx7

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Magnesium binding site 5 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg207

b:60.8
occ:1.00
OP2 A:A10 2.4 97.2 1.0
OP2 A:U64 2.6 74.0 1.0
OP1 A:U64 3.2 51.9 1.0
P A:U64 3.3 67.5 1.0
P A:A10 3.4 95.9 1.0
OP1 A:A10 3.6 88.8 1.0
O6 A:G11 3.8 96.3 1.0
O3' A:U63 4.0 92.2 1.0
OP1 A:A62 4.0 83.8 1.0
O3' A:A9 4.1 0.6 1.0
N7 A:G11 4.2 80.9 1.0
C4' A:U63 4.5 65.4 1.0
C6 A:G11 4.7 90.0 1.0
C5' A:U63 4.7 76.5 1.0
O5' A:U64 4.7 76.4 1.0
O5' A:A10 4.8 55.0 1.0
C5 A:G11 4.8 84.8 1.0
C3' A:U63 4.9 73.0 1.0
C4' A:A9 5.0 0.9 1.0

Magnesium binding site 6 out of 6 in 3gx7

Go back to Magnesium Binding Sites List in 3gx7
Magnesium binding site 6 out of 6 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Mutant A6C/U7G/A87C/U88G Bound with Sam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg208

b:66.6
occ:1.00
N7 A:G56 4.1 89.8 1.0
N7 A:G55 4.4 1.0 1.0
O6 A:G56 4.6 81.5 1.0
N1 A:A45 4.7 80.8 1.0
C8 A:G55 4.8 0.9 1.0
C5 A:G55 4.8 0.6 1.0
C2 A:A46 4.9 87.8 1.0

Reference:

R.K.Montange, E.Mondragon, D.Van Tyne, A.D.Garst, P.Ceres, R.T.Batey. Discrimination Between Closely Related Cellular Metabolites By the Sam-I Riboswitch. J.Mol.Biol. V. 396 761 2010.
ISSN: ISSN 0022-2836
PubMed: 20006621
DOI: 10.1016/J.JMB.2009.12.007
Page generated: Wed Aug 14 15:00:02 2024

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