Bromine in PDB 8ruj: Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking

The structure of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking, PDB code: 8ruj 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)	49.52 / 3.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.57, 95.098, 227.801, 90, 90, 90
R / Rfree (%)	19.6 / 23.6

The structure of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking also contains other interesting chemical elements:

Potassium	(K)	18 atoms
Magnesium	(Mg)	21 atoms

The binding sites of Bromine atom in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking (pdb code 8ruj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking, PDB code: 8ruj:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:192.2 occ:1.00 BR04 A:VTR401 0.0 192.2 1.0 C03 A:VTR401 1.9 162.5 1.0 C05 A:VTR401 2.9 166.2 1.0 C02 A:VTR401 3.0 149.8 1.0 O01 A:VTR401 3.2 143.9 1.0 C06 A:VTR401 3.3 180.1 1.0 O26 A:VTR401 3.8 161.1 1.0 C07 A:VTR401 3.9 218.6 1.0 C27 A:VTR401 4.2 170.3 1.0 C31 A:VTR401 4.2 149.2 1.0 O25 A:VTR401 4.3 235.7 1.0 C19 A:VTR401 4.5 208.2 1.0 C08 A:VTR401 4.7 233.8 1.0 C29 A:VTR401 4.7 155.4 1.0 MG A:MG402 5.0 119.2 1.0

Bromine binding site 2 out of 2 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+, 5'-Exon, and ARN25850 After 1H Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:219.4 occ:1.00 BR28 A:VTR401 0.0 219.4 1.0 C27 A:VTR401 1.9 170.3 1.0 C29 A:VTR401 2.8 155.4 1.0 O30 A:VTR401 2.9 157.2 1.0 C05 A:VTR401 2.9 166.2 1.0 C06 A:VTR401 3.3 180.1 1.0 C08 A:VTR401 3.7 233.8 1.0 O26 A:VTR401 3.7 161.1 1.0 C07 A:VTR401 4.0 218.6 1.0 C31 A:VTR401 4.1 149.2 1.0 C03 A:VTR401 4.2 162.5 1.0 C02 A:VTR401 4.7 149.8 1.0 MG A:MG403 4.8 132.4 1.0 C5' A:C358 4.9 143.0 1.0 C09 A:VTR401 5.0 265.8 1.0 OP1 A:G359 5.0 185.3 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