Magnesium in PDB 8c3n: Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22

The structure of Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22, PDB code: 8c3n was solved by T.Pantelejevs, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.43 / 1.21
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.017, 37.961, 43.934, 90, 90, 90
R / Rfree (%)	21.1 / 21.8

The binding sites of Magnesium atom in the Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22 (pdb code 8c3n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22, PDB code: 8c3n:

Magnesium binding site 1 out of 1 in the Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Stapled Peptide SP30 in Complex with Humanised Rada Mutant HUMRADA22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:15.2 occ:1.00 O3B A:ADP401 2.0 14.8 1.0 O A:HOH524 2.0 16.4 1.0 O A:HOH570 2.1 15.5 1.0 O A:HOH597 2.1 15.8 1.0 O A:HOH545 2.1 16.5 1.0 OG1 A:THR145 2.1 13.6 1.0 CB A:THR145 3.2 13.8 1.0 PB A:ADP401 3.3 14.8 1.0 O2B A:ADP401 3.5 15.4 1.0 OE1 A:GLU174 4.0 28.0 1.0 N A:THR145 4.0 14.6 1.0 O A:HOH589 4.1 22.4 1.0 CA A:THR145 4.1 13.9 1.0 O2A A:ADP401 4.2 17.2 1.0 OD1 A:ASP238 4.2 17.4 1.0 CG2 A:THR145 4.2 15.7 1.0 OD2 A:ASP238 4.2 17.6 1.0 O3A A:ADP401 4.3 16.0 1.0 O1B A:ADP401 4.3 16.1 1.0 OG1 A:THR176 4.4 18.8 1.0 O A:HOH681 4.4 21.8 1.0 PA A:ADP401 4.5 15.4 1.0 O A:HOH600 4.6 19.3 1.0 CG A:ASP238 4.6 16.1 1.0 O1A A:ADP401 4.6 16.0 1.0 O A:HOH510 4.7 23.5 1.0 CB A:LYS144 4.9 13.7 1.0 CB A:THR176 4.9 17.8 1.0 CE A:LYS144 5.0 16.6 1.0 CG2 A:THR176 5.0 19.7 1.0

T.Pantelejevs, P.Zuazua-Villar, O.Koczy, A.Counsell, S.J.Walsh, N.S.Robertson, D.R.Spring, J.Downs, M.Hyvonen. A Recombinant Approach For Stapled Peptide Discovery Yields Inhibitors of the RAD51 Recombinase Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.02.24.529929