Magnesium in PDB 7otp: Dna-Pkcs in Complex with Atpgammas-Mg

All present enzymatic activity of Dna-Pkcs in Complex with Atpgammas-Mg:
2.7.11.1;

The binding sites of Magnesium atom in the Dna-Pkcs in Complex with Atpgammas-Mg (pdb code 7otp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Dna-Pkcs in Complex with Atpgammas-Mg, PDB code: 7otp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Dna-Pkcs in Complex with Atpgammas-Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Dna-Pkcs in Complex with Atpgammas-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg6102 b:39.5 occ:1.00 O2G A:AGS6101 2.0 43.7 1.0 OD2 A:ASP3941 2.3 40.4 0.0 OD1 A:ASN3927 2.8 29.6 1.0 CG A:ASP3941 2.9 40.4 0.0 ND2 A:ASN3927 3.3 29.6 1.0 CG A:ASN3927 3.4 29.6 1.0 PG A:AGS6101 3.4 43.7 1.0 CB A:ASP3941 3.5 40.4 1.0 OD1 A:ASP3941 3.7 40.4 0.0 O1A A:AGS6101 3.7 43.7 1.0 CE1 A:HIS3924 4.0 34.3 1.0 S1G A:AGS6101 4.2 43.7 1.0 O3G A:AGS6101 4.2 43.7 1.0 MG A:MG6103 4.3 44.1 1.0 OD2 A:ASP3922 4.4 43.5 1.0 O1B A:AGS6101 4.5 43.7 1.0 O3B A:AGS6101 4.5 43.7 1.0 NE2 A:HIS3924 4.6 34.3 1.0 O A:ASP3941 4.7 40.4 1.0 CB A:ASN3927 4.8 29.6 1.0 CA A:ASP3941 5.0 40.4 1.0

Magnesium binding site 2 out of 2 in the Dna-Pkcs in Complex with Atpgammas-Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Dna-Pkcs in Complex with Atpgammas-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg6103 b:44.1 occ:1.00 O1B A:AGS6101 2.1 43.7 1.0 OE1 A:GLU3756 2.4 56.8 1.0 CD A:GLU3756 3.2 56.8 1.0 OE2 A:GLU3756 3.3 56.8 1.0 OD1 A:ASP3941 3.4 40.4 0.0 CG A:LYS4023 3.5 85.6 1.0 O2G A:AGS6101 3.5 43.7 1.0 PB A:AGS6101 3.7 43.7 1.0 CD A:LYS4023 3.8 85.6 1.0 O3G A:AGS6101 3.9 43.7 1.0 CG A:ASP3941 4.1 40.4 0.0 PG A:AGS6101 4.2 43.7 1.0 CE A:LYS4023 4.2 85.6 1.0 OD2 A:ASP3941 4.3 40.4 0.0 O2B A:AGS6101 4.3 43.7 1.0 MG A:MG6102 4.3 39.5 1.0 O3B A:AGS6101 4.4 43.7 1.0 O3A A:AGS6101 4.6 43.7 1.0 CG A:GLU3756 4.7 56.8 1.0 CB A:LYS4023 4.7 85.6 1.0 O1A A:AGS6101 4.8 43.7 1.0 NZ A:LYS4023 4.9 85.6 1.0

S.Liang, S.E.Thomas, A.K.Chaplin, S.W.Hardwick, D.Y.Chirgadze, T.L.Blundell. Structural Insights Into Inhibitor Regulation of the Dna Repair Protein Dna-Pkcs. Nature V. 601 643 2022.
ISSN: ESSN 1476-4687
PubMed: 34987222
DOI: 10.1038/S41586-021-04274-9