Manganese in PDB 3gx6: Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride

The structure of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride, PDB code: 3gx6 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)	18.47 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.390, 62.390, 157.844, 90.00, 90.00, 90.00
R / Rfree (%)	26 / 32.7

The binding sites of Manganese atom in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride (pdb code 3gx6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride, PDB code: 3gx6:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:78.3 occ:1.00 N7 A:G55 2.7 72.9 1.0 O6 A:G55 3.4 53.7 1.0 C5 A:G55 3.4 64.8 1.0 C8 A:G55 3.6 73.3 1.0 C6 A:G55 3.7 57.6 1.0 N1 A:A46 3.9 53.9 1.0 C2 A:A46 4.2 52.2 1.0 OP2 A:G55 4.3 77.2 1.0 C4 A:G55 4.6 63.8 1.0 N9 A:G55 4.7 69.5 1.0

Manganese binding site 2 out of 5 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:84.7 occ:1.00 N7 A:G50 2.7 65.4 1.0 C8 A:G50 3.4 71.8 1.0 C5 A:G50 3.8 66.6 1.0 OP2 A:A49 4.0 68.0 1.0 O6 A:G50 4.2 73.3 1.0 N7 A:A49 4.3 54.8 1.0 OP1 A:A52 4.4 75.7 1.0 C6 A:G50 4.4 69.8 1.0 C8 A:A49 4.5 59.6 1.0 N9 A:G50 4.7 69.6 1.0 OP2 A:G50 4.8 79.0 1.0 C4 A:G50 4.9 67.4 1.0 O5' A:A49 4.9 70.4 1.0

Manganese binding site 3 out of 5 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:82.5 occ:1.00 OP2 A:C65 2.7 36.2 1.0 OP2 A:A62 3.7 52.4 1.0 P A:C65 4.1 37.5 1.0 OP2 A:U64 4.1 43.2 1.0 OP1 A:C60 4.5 60.2 1.0 C4' A:U64 4.6 43.2 1.0 OP1 A:C65 4.7 39.1 1.0 O5' A:U64 4.7 53.1 1.0 P A:A62 4.9 56.2 1.0 O3' A:U64 5.0 45.4 1.0

Manganese binding site 4 out of 5 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:48.5 occ:1.00 OP2 A:A10 2.3 49.4 1.0 OP2 A:U64 2.7 43.2 1.0 OP1 A:U64 2.9 45.5 1.0 P A:U64 3.2 41.8 1.0 P A:A10 3.3 58.8 1.0 O3' A:A9 3.5 63.1 1.0 O5' A:A10 3.7 57.9 1.0 N7 A:G11 4.1 58.0 1.0 O6 A:G11 4.1 56.2 1.0 O3' A:U63 4.3 51.4 1.0 OP1 A:A62 4.3 50.6 1.0 N7 A:A10 4.3 61.5 1.0 C8 A:A10 4.4 59.7 1.0 O5' A:U64 4.5 53.1 1.0 C3' A:A9 4.6 63.6 1.0 C4' A:U63 4.7 43.3 1.0 OP1 A:A10 4.7 59.0 1.0 C3' A:U63 4.8 48.7 1.0 C5 A:G11 4.9 60.6 1.0 C6 A:G11 4.9 58.7 1.0 C4' A:A9 4.9 57.9 1.0

Manganese binding site 5 out of 5 in the Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the T. Tengcongensis Sam-I Riboswitch Variant U34C/A94G Bound with Sam in Manganese Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn205 b:69.4 occ:1.00 OP2 A:A33 4.4 64.8 1.0 OP2 A:G32 4.9 54.9 1.0 OP1 A:A33 4.9 57.2 1.0

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