Magnesium in PDB 8rul: Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+

The structure of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+, PDB code: 8rul was solved by I.Silvestri, M.Marcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.18 / 3.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.169, 95.487, 224.306, 90, 90, 90
R / Rfree (%)	16 / 23.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 54;

Binding sites:

The binding sites of Magnesium atom in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ (pdb code 8rul). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 54 binding sites of Magnesium where determined in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+, PDB code: 8rul:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:137.2 occ:1.00 OP2 A:A154 2.0 166.2 1.0 O6 A:G155 2.0 155.5 1.0 C6 A:G155 2.9 174.0 1.0 N7 A:G155 3.0 175.6 1.0 O4 A:U221 3.1 180.8 1.0 C5 A:G155 3.2 182.1 1.0 P A:A154 3.3 179.8 1.0 O3' A:G153 3.7 185.7 1.0 O6 A:G156 4.1 188.3 1.0 N1 A:G155 4.2 153.0 1.0 C4 A:U221 4.2 194.8 1.0 OP1 A:A154 4.2 208.2 1.0 O2' A:G153 4.2 178.9 1.0 C8 A:G155 4.3 162.2 1.0 O5' A:A154 4.5 154.6 1.0 N3 A:U221 4.6 195.2 1.0 C4 A:G155 4.6 166.0 1.0 C3' A:G153 4.7 203.9 1.0 N7 A:G156 4.7 173.9 1.0 C6 A:G156 4.8 184.9 1.0 N6 A:A222 4.9 178.2 1.0

Magnesium binding site 2 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:129.7 occ:1.00 OP2 A:G288 2.0 158.5 0.2 OP1 A:A287 2.0 158.8 1.0 P A:A287 3.0 161.8 1.0 O5' A:A287 3.2 151.4 1.0 OP1 A:G321 3.2 95.5 1.0 N2 A:G288 3.3 74.5 0.2 P A:G288 3.4 166.1 0.2 OP1 A:G288 3.4 193.4 0.8 O3' A:C286 3.5 127.4 1.0 OP2 A:G321 3.6 133.5 1.0 P A:G321 3.9 118.8 1.0 OP2 A:G288 3.9 103.1 0.8 P A:G288 4.0 176.5 0.8 OP1 A:G288 4.0 150.1 0.2 O5' A:G288 4.3 161.5 0.2 OP2 A:A287 4.4 147.5 1.0 O3' A:A287 4.5 171.6 1.0 C5' A:G288 4.5 147.7 0.2 C2 A:G288 4.6 75.3 0.2 O3' A:G320 4.6 97.3 1.0 C5' A:A287 4.6 154.6 1.0 C3' A:A287 4.6 188.2 1.0 C3' A:C286 4.7 110.2 1.0 C4' A:C286 4.8 102.2 1.0

Magnesium binding site 3 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:81.8 occ:1.00 OP2 A:U4 2.0 125.5 1.0 P A:U4 3.5 124.2 1.0 OP2 A:G3 3.7 124.1 1.0 OP1 A:G3 3.8 107.5 1.0 O6 A:G5 3.9 132.5 1.0 O5' A:U4 4.2 87.4 1.0 P A:G3 4.2 119.7 1.0 OP1 A:U4 4.4 128.2 1.0 N7 A:G5 4.5 134.3 1.0 O3' A:G3 4.6 104.5 1.0 O5' A:G3 4.6 125.8 1.0 C6 A:G5 4.9 118.4 1.0 N1 A:A376 4.9 146.9 1.0 C5' A:G3 4.9 133.1 1.0

Magnesium binding site 4 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:110.6 occ:1.00 O6 A:G325 2.0 151.3 1.0 N7 A:G324 2.9 159.6 1.0 C6 A:G325 3.0 144.8 1.0 N7 A:G325 3.5 194.2 1.0 C5 A:G325 3.6 154.3 1.0 O6 A:G324 3.7 166.4 1.0 C5 A:G324 3.7 162.4 1.0 C8 A:G324 3.8 176.3 1.0 OP2 A:G324 4.0 134.7 1.0 C6 A:G324 4.0 163.7 1.0 N1 A:G325 4.2 147.7 1.0 OP2 A:C323 4.6 147.2 1.0 C8 A:G325 4.8 182.0 1.0 C4 A:G324 4.8 154.1 1.0 N9 A:G324 4.9 176.1 1.0 C4 A:G325 5.0 154.7 1.0

Magnesium binding site 5 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:97.7 occ:1.00 O A:HOH537 2.1 85.5 1.0 O A:HOH556 2.5 106.2 1.0 O6 A:G46 3.3 95.8 1.0 O4 A:U45 3.9 86.6 1.0 N7 A:G46 4.0 103.0 1.0 C6 A:G46 4.2 99.8 1.0 C4 A:U45 4.3 93.4 1.0 C5 A:U45 4.4 94.0 1.0 OP2 A:U59 4.5 82.8 1.0 C5 A:G46 4.5 97.8 1.0 OP1 A:U59 4.6 89.9 1.0 O4 A:U47 4.7 77.8 1.0 O2' A:G58 4.8 84.5 1.0

Magnesium binding site 6 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg408 b:128.8 occ:1.00 MG A:MG420 1.5 118.4 1.0 OP1 A:G107 2.0 126.3 1.0 P A:G107 3.4 103.4 1.0 O3' A:A106 3.9 120.1 1.0 C5' A:G107 3.9 89.0 1.0 OP1 A:G108 4.0 89.7 1.0 O5' A:G107 4.1 83.3 1.0 N7 A:A105 4.5 141.7 1.0 C5' A:A106 4.6 115.5 1.0 OP2 A:G107 4.6 89.7 1.0 C8 A:A105 4.6 130.2 1.0 OP2 A:A105 4.7 115.0 1.0 OP2 A:A106 4.9 114.4 1.0 C3' A:A106 4.9 115.8 1.0 O2' A:C367 5.0 94.6 1.0

Magnesium binding site 7 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg409 b:87.5 occ:1.00 OP2 A:C372 2.0 151.3 1.0 O6 A:G373 3.1 106.3 1.0 OP1 A:A371 3.5 140.5 1.0 P A:C372 3.5 134.8 1.0 OP2 A:A371 3.7 121.0 1.0 P A:A371 4.0 135.3 1.0 N7 A:G373 4.0 115.7 1.0 C6 A:G373 4.1 105.7 1.0 O5' A:C372 4.2 92.8 1.0 O5' A:A371 4.3 167.4 1.0 O3' A:A371 4.4 133.1 1.0 C5 A:G373 4.4 112.3 1.0 OP1 A:C372 4.5 134.9 1.0 C3' A:A371 4.6 142.5 1.0 OP2 A:G373 4.7 126.6 1.0 C5 A:C372 4.7 126.8 1.0 C5' A:A371 4.9 161.5 1.0

Magnesium binding site 8 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg410 b:93.1 occ:1.00 OP1 A:A67 2.0 105.1 1.0 OP2 A:U66 2.1 145.4 1.0 P A:A67 3.3 104.2 1.0 P A:U66 3.5 143.7 1.0 O3' A:U66 3.6 95.7 1.0 OP2 A:A67 4.1 103.2 1.0 OP1 A:U66 4.2 130.8 1.0 O5' A:U66 4.4 90.0 1.0 O3' A:U65 4.5 120.0 1.0 O5' A:A67 4.6 83.7 1.0 O A:HOH503 4.7 73.7 1.0 C3' A:U66 4.8 96.2 1.0 C5' A:A67 4.8 84.4 1.0

Magnesium binding site 9 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg411 b:78.2 occ:1.00 OP1 A:G284 3.6 114.4 1.0 OP2 A:U96 4.0 89.0 1.0 OP1 A:A95 4.1 112.1 1.0 OP2 A:G284 4.3 92.9 1.0 P A:G284 4.4 102.8 1.0 OP1 A:U96 4.4 94.6 1.0 P A:U96 4.7 97.7 1.0 O3' A:A283 4.8 119.6 1.0

Magnesium binding site 10 out of 54 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of Li+ and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg412 b:83.5 occ:1.00 OP1 A:C6 2.0 122.5 1.0 P A:C6 3.4 114.5 1.0 OP2 A:C7 3.9 123.2 1.0 O4' A:A260 4.0 112.4 1.0 OP2 A:C6 4.1 119.7 1.0 O2' A:U379 4.2 124.2 1.0 O5' A:C6 4.4 97.4 1.0 O3' A:G5 4.4 90.2 1.0 C1' A:A260 4.5 109.1 1.0 C4' A:A260 4.7 126.9 1.0 N9 A:A260 4.8 104.4 1.0 P A:C7 5.0 122.3 1.0

I.Silvestri, J.Manigrasso, A.Andreani, N.Brindani, C.Mas, J.B.Reiser, P.Vidossich, G.Martino, A.Mccarthy, M.De Vivo, M.Marcia. Targeting the Conserved Active Site of Splicing Machines with Specific and Selective Small Molecule Modulators Nat Commun 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48697-0