Magnesium in PDB 8ir2: Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444, PDB code: 8ir2 was solved by S.Xiang, W.Huang, F.Qiu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.10 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.352, 76.203, 141.614, 90, 90, 90
R / Rfree (%)	16.4 / 20.2

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Magnesium atom in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 (pdb code 8ir2). 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 SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444, PDB code: 8ir2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1005 b:48.3 occ:1.00 O A:HOH1297 2.0 31.7 1.0 O A:HOH1358 2.2 50.2 1.0 O A:HOH1317 2.3 29.4 1.0 O A:HOH1363 2.4 45.9 1.0 O A:HOH1126 3.7 34.3 1.0 O A:ALA120 3.9 17.1 1.0 O A:HOH1244 4.2 29.9 1.0 O A:HOH1167 4.4 28.9 1.0 O A:LEU115 4.4 17.7 1.0 O A:GLY119 4.6 22.8 1.0 C A:ALA120 4.7 15.8 1.0 CA A:PRO121 4.7 13.9 1.0 C A:LEU115 4.9 16.1 1.0 O A:HOH1216 4.9 19.1 1.0 C A:GLY119 4.9 18.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:26.9 occ:1.00 OE2 B:GLU49 2.1 21.9 1.0 O B:HOH533 2.1 25.2 1.0 O B:HOH542 2.1 22.4 1.0 O B:HOH430 2.2 22.3 1.0 O B:HOH499 2.2 26.9 1.0 O A:HOH1136 2.3 26.8 1.0 CD B:GLU49 3.0 22.5 1.0 OE1 B:GLU49 3.3 21.7 1.0 O A:HOH1174 4.0 28.8 1.0 O B:HOH449 4.1 37.5 1.0 O B:GLU49 4.1 17.7 1.0 OE2 A:GLU49 4.1 27.5 1.0 O A:HOH1291 4.1 27.3 1.0 O A:HOH1201 4.2 33.1 1.0 NZ A:LYS16 4.2 28.1 1.0 O B:HOH427 4.2 33.4 1.0 O B:HOH585 4.2 34.8 1.0 O A:HOH1350 4.3 30.1 1.0 CG B:GLU49 4.4 17.9 1.0 CD A:GLU49 4.6 25.3 1.0 OE1 A:GLU49 4.9 20.1 1.0 C B:GLU49 5.0 19.4 1.0 CB B:ARG50 5.0 18.4 1.0

W.Huang, F.Qiu, L.Zheng, M.Shi, M.Shen, X.Zhao, S.Xiang. Structural Insights Into RAD18 Targeting By the SLF1 Brct Domains. J.Biol.Chem. V. 299 05288 2023.
ISSN: ESSN 1083-351X
PubMed: 37748650
DOI: 10.1016/J.JBC.2023.105288