Magnesium in PDB 3mur: Crystal Structure of the C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp

The structure of Crystal Structure of the C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp, PDB code: 3mur 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)	39.20 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.915, 45.272, 78.616, 90.00, 94.96, 90.00
R / Rfree (%)	20 / 25.2

The binding sites of Magnesium atom in the Crystal Structure of the C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp (pdb code 3mur). 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 C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp, PDB code: 3mur:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the C92U 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 C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg670 b:76.1 occ:1.00 O R:HOH722 2.2 75.7 1.0 O R:HOH723 2.2 75.8 1.0 O R:HOH718 2.2 75.8 1.0 O R:HOH721 2.2 74.7 1.0 O R:HOH720 2.2 74.9 1.0 O R:HOH719 2.2 78.2 1.0 O21 R:C2E1 3.7 48.6 1.0 N7 R:G20 4.0 70.5 1.0 O11 R:C2E1 4.2 50.5 1.0 O6 R:G19 4.3 76.7 1.0 O6 R:G20 4.4 67.2 1.0 N7 R:G19 4.5 84.0 1.0 P11 R:C2E1 4.7 50.8 1.0 C5 R:G20 4.7 68.3 1.0 C8 R:G20 4.8 72.6 1.0 C6 R:G20 4.9 66.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the C92U 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 C92U Mutant C-Di-Gmp Riboswith Bound to C-Di- Gmp within 5.0Å range: probe atom residue distance (Å) B Occ R:Mg671 b:61.6 occ:1.00 O R:HOH728 2.2 61.7 1.0 O R:HOH726 2.2 59.7 1.0 O R:HOH725 2.2 62.6 1.0 O R:HOH729 2.2 61.3 1.0 O R:HOH727 2.2 59.0 1.0 O R:HOH724 2.2 61.5 1.0 O6 R:G57 3.6 54.4 1.0 O4 R:U81 3.9 62.9 1.0 N7 R:G56 4.4 67.6 1.0 N7 R:G57 4.5 63.8 1.0 O2 R:U53 4.5 52.8 1.0 O2' R:U53 4.5 60.8 1.0 C6 R:G57 4.6 56.4 1.0 O6 R:G80 4.6 54.8 1.0 O6 R:G56 4.7 61.4 1.0 N4 R:C58 4.9 57.6 1.0 N4 R:C55 4.9 56.0 1.0 C5 R:G57 4.9 59.8 1.0 C4 R:U81 5.0 59.9 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