Magnesium in PDB 5e50: Aplf/XRCC4 Complex

All present enzymatic activity of Aplf/XRCC4 Complex:
4.2.99.18;

The structure of Aplf/XRCC4 Complex, PDB code: 5e50 was solved by A.L.Cherry, S.J.Smerdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.97 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.496, 58.540, 94.930, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17.4

The binding sites of Magnesium atom in the Aplf/XRCC4 Complex (pdb code 5e50). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Aplf/XRCC4 Complex, PDB code: 5e50:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Aplf/XRCC4 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aplf/XRCC4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:26.4 occ:1.00 O C:HOH417 2.0 26.8 1.0 O C:HOH404 2.0 24.9 1.0 O C:HOH414 2.1 29.5 1.0 O A:HOH360 2.1 30.4 1.0 O C:HOH403 2.1 26.1 1.0 O C:HOH415 2.1 28.7 1.0 O3P C:TPO233 4.1 12.5 1.0 O C:HOH401 4.3 28.5 1.0 O1P C:TPO233 4.3 11.7 1.0 CD A:PRO-3 4.4 23.0 1.0 O C:HOH405 4.5 32.8 1.0 O A:HOH372 4.5 38.5 1.0 CA A:GLY-4 4.7 21.4 1.0 P C:TPO233 4.8 12.0 1.0

Magnesium binding site 2 out of 2 in the Aplf/XRCC4 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Aplf/XRCC4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:25.6 occ:0.94 O B:HOH346 2.0 31.0 1.0 O D:HOH418 2.0 26.5 1.0 O D:HOH401 2.1 25.7 1.0 O D:HOH406 2.1 26.9 1.0 O D:HOH417 3.4 23.6 1.0 O D:HOH407 4.0 35.1 1.0 O A:HOH361 4.1 20.2 1.0 O D:HOH404 4.2 34.5 1.0 O2P D:TPO233 4.2 13.2 1.0 O1P D:TPO233 4.2 13.1 1.0 O D:HOH412 4.4 26.4 1.0 CD B:PRO-3 4.4 29.1 1.0 CA B:GLY-4 4.5 28.9 1.0 P D:TPO233 4.9 13.2 1.0

A.L.Cherry, T.J.Nott, G.Kelly, S.L.Rulten, K.W.Caldecott, S.J.Smerdon. Versatility in Phospho-Dependent Molecular Recognition of the XRCC1 and XRCC4 Dna-Damage Scaffolds By Aprataxin-Family Fha Domains. Dna Repair (Amst.) V. 35 116 2015.
ISSN: ISSN 1568-7856
PubMed: 26519825
DOI: 10.1016/J.DNAREP.2015.10.002