Magnesium in PDB 3mum: Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp

The structure of Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp, PDB code: 3mum was solved by S.A.Strobel, K.D.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.73 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.115, 45.596, 79.821, 90.00, 93.99, 90.00
R / Rfree (%)	20.8 / 26.5

The binding sites of Magnesium atom in the Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp (pdb code 3mum). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp, PDB code: 3mum:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp


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 G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg670 b:38.6 occ:1.00 O R:HOH707 2.2 39.0 1.0 O R:HOH710 2.2 40.5 1.0 O R:HOH706 2.2 39.3 1.0 O R:HOH708 2.2 39.7 1.0 O R:HOH709 2.2 40.0 1.0 OP2 R:A48 2.8 30.0 1.0 O5' R:A48 2.9 26.4 1.0 P R:A48 3.2 27.9 1.0 O3' R:A47 3.3 25.3 1.0 C5' R:A48 4.2 23.9 1.0 N7 R:G14 4.3 27.3 1.0 O6 R:C2E1 4.4 28.6 1.0 O2' R:A47 4.5 24.8 1.0 N1 R:A91 4.6 21.5 1.0 O6 R:G14 4.6 27.4 1.0 N6 R:A91 4.6 24.4 1.0 C3' R:A47 4.7 23.1 1.0 OP1 R:A48 4.7 29.3 1.0 N4 R:C92 4.9 31.6 1.0 C5 R:G14 5.0 25.4 1.0 C4' R:A48 5.0 21.8 1.0 O4' R:A48 5.0 19.7 1.0 C1' R:A47 5.0 21.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp


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 G20A Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg671 b:39.8 occ:1.00 O R:HOH713 2.2 39.7 1.0 O R:HOH716 2.2 40.8 1.0 O R:HOH711 2.2 40.2 1.0 O R:HOH714 2.2 41.8 1.0 O R:HOH715 2.2 39.0 1.0 O R:HOH712 2.2 41.8 1.0 O21 R:C2E1 3.7 25.1 1.0 O6 R:G19 4.3 37.9 1.0 O11 R:C2E1 4.3 22.0 1.0 N7 R:G19 4.4 36.2 1.0 P11 R:C2E1 4.7 23.7 1.0 N7 R:A20 4.7 37.3 1.0 C6 R:G19 5.0 36.4 1.0

K.D.Smith, S.V.Lipchock, A.L.Livingston, C.A.Shanahan, S.A.Strobel. Structural and Biochemical Determinants of Ligand Binding By the C-Di-Gmp Riboswitch . Biochemistry V. 49 7351 2010.
ISSN: ISSN 0006-2960
PubMed: 20690679
DOI: 10.1021/BI100671E