Magnesium in PDB 4lj9: Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp

The structure of Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp, PDB code: 4lj9 was solved by C.Zeymer, T.R.M.Barends, N.D.Werbeck, I.Schlichting, J.Reinstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.91 / 1.70
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	74.640, 74.640, 119.680, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.4

The binding sites of Magnesium atom in the Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp (pdb code 4lj9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp, PDB code: 4lj9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:17.9 occ:1.00 OG1 A:THR602 2.0 17.9 1.0 O1G A:ACP901 2.0 19.8 1.0 O1B A:ACP901 2.0 16.9 1.0 O A:HOH1158 2.1 15.7 1.0 O A:HOH1160 2.1 16.1 1.0 O A:HOH1159 2.1 15.1 1.0 CB A:THR602 3.1 16.4 1.0 PB A:ACP901 3.2 17.4 1.0 PG A:ACP901 3.3 19.6 1.0 C3B A:ACP901 3.5 18.9 1.0 O A:HOH1007 3.9 15.3 1.0 CG2 A:THR602 4.0 17.4 1.0 O A:HOH1161 4.1 13.6 1.0 O2B A:ACP901 4.1 17.6 1.0 O1A A:ACP901 4.1 19.9 1.0 CA A:THR602 4.2 15.6 1.0 OD2 A:ASP667 4.2 18.0 1.0 N A:THR602 4.2 14.9 1.0 O3G A:ACP901 4.2 19.9 1.0 OD1 A:ASP667 4.3 18.8 1.0 O2G A:ACP901 4.3 21.5 1.0 O3A A:ACP901 4.4 18.2 1.0 CG A:ASP667 4.6 18.6 1.0 O A:HOH1162 4.7 21.7 1.0 PA A:ACP901 4.8 18.6 1.0 CD2 A:LEU665 4.8 17.5 1.0 O A:HOH1177 4.9 19.8 1.0

Magnesium binding site 2 out of 2 in the Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Clpb NBD2 R621Q From T. Thermophilus in Complex with Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:24.3 occ:1.00 O A:HOH1165 2.0 19.3 1.0 O A:HOH1163 2.0 18.9 1.0 O A:HOH1161 2.0 13.6 1.0 O A:HOH1162 2.2 21.7 1.0 O A:HOH1187 2.2 27.0 1.0 O A:HOH1164 2.3 31.1 1.0 OE2 A:GLU668 3.9 27.1 1.0 OD2 A:ASP623 4.0 25.0 1.0 O1G A:ACP901 4.0 19.8 1.0 OD2 A:ASP667 4.1 18.0 1.0 OD1 A:ASP623 4.2 22.9 1.0 CG A:ASP623 4.2 22.9 1.0 O2G A:ACP901 4.3 21.5 1.0 CB A:ASP667 4.4 16.5 1.0 CG A:ASP667 4.5 18.6 1.0 PG A:ACP901 4.5 19.6 1.0 O A:HOH1158 4.6 15.7 1.0 O A:HOH1154 4.6 29.5 1.0 O3G A:ACP901 4.9 19.9 1.0 O A:HOH1077 4.9 31.4 1.0 CD A:GLU668 4.9 26.9 1.0

C.Zeymer, T.R.M.Barends, N.D.Werbeck, I.Schlichting, J.Reinstein. Elements in Nucleotide Sensing and Hydrolysis of the Aaa+ Disaggregation Machine Clpb: A Structure-Based Mechanistic Dissection of A Molecular Motor Acta Crystallogr.,Sect.D V. 70 582 2014.
ISSN: ISSN 0907-4449
PubMed: 24531492
DOI: 10.1107/S1399004713030629