Magnesium in PDB 4a6x: Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp

The structure of Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp, PDB code: 4a6x was solved by M.E.Marsh, M.T.Ehebauer, D.Scott, C.Abell, T.L.Blundell, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.675 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.320, 87.350, 61.880, 90.00, 91.23, 90.00
R / Rfree (%)	19.61 / 23.49

The binding sites of Magnesium atom in the Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp (pdb code 4a6x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp, PDB code: 4a6x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg350 b:10.4 occ:1.00 O1B A:ATP351 2.1 6.7 1.0 O1G A:ATP351 2.1 9.0 1.0 O A:HOH2051 2.1 8.5 1.0 OG1 A:THR145 2.2 5.8 1.0 O A:HOH2049 2.2 8.4 1.0 O A:HOH2050 2.3 7.9 1.0 CB A:THR145 3.2 4.3 1.0 PG A:ATP351 3.3 10.2 1.0 PB A:ATP351 3.3 8.9 1.0 O3B A:ATP351 3.5 8.8 1.0 O A:HOH2099 3.9 21.0 1.0 O A:HOH2097 4.0 11.5 1.0 O2G A:ATP351 4.0 10.6 1.0 O1A A:ATP351 4.1 12.8 1.0 N A:THR145 4.1 7.9 1.0 OD1 A:ASP238 4.1 8.7 1.0 CG2 A:THR145 4.2 6.8 1.0 CA A:THR145 4.2 5.9 1.0 OD2 A:ASP238 4.2 7.8 1.0 O A:HOH2068 4.3 18.2 1.0 O3A A:ATP351 4.3 8.6 1.0 OE1 A:GLU174 4.3 5.7 0.5 OG1 A:THR176 4.4 9.4 1.0 O2B A:ATP351 4.4 9.3 1.0 O3G A:ATP351 4.5 12.2 1.0 PA A:ATP351 4.5 10.6 1.0 CG A:ASP238 4.6 7.7 1.0 O2A A:ATP351 4.8 9.1 1.0 CB A:THR176 5.0 7.7 1.0 CB A:LYS144 5.0 5.9 1.0 CE A:LYS144 5.0 7.1 1.0

Magnesium binding site 2 out of 2 in the Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Rada C-Terminal Atpase Domain From Pyrococcus Furiosus Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg350 b:10.8 occ:1.00 O1G B:ATP351 2.1 9.0 1.0 O1B B:ATP351 2.1 7.0 1.0 OG1 B:THR145 2.1 9.5 1.0 O B:HOH2045 2.1 8.2 1.0 O B:HOH2046 2.3 10.2 1.0 O B:HOH2044 2.3 9.8 1.0 CB B:THR145 3.2 7.9 1.0 PB B:ATP351 3.3 10.2 1.0 PG B:ATP351 3.3 10.1 1.0 O3B B:ATP351 3.5 8.9 1.0 O B:HOH2091 4.0 25.2 1.0 O1A B:ATP351 4.0 11.2 1.0 OD1 B:ASP238 4.1 8.0 1.0 O B:HOH2292 4.1 11.9 1.0 O2G B:ATP351 4.1 10.9 1.0 N B:THR145 4.1 8.7 1.0 CG2 B:THR145 4.2 9.1 1.0 CA B:THR145 4.2 8.9 1.0 OD2 B:ASP238 4.2 7.1 1.0 O B:HOH2092 4.3 13.3 1.0 O3A B:ATP351 4.3 8.3 1.0 O B:HOH2064 4.3 17.5 1.0 O2B B:ATP351 4.4 9.8 1.0 OG1 B:THR176 4.4 9.6 1.0 O3G B:ATP351 4.5 12.2 1.0 PA B:ATP351 4.5 11.6 1.0 CG B:ASP238 4.6 6.6 1.0 O2A B:ATP351 4.7 12.3 1.0

M.E.Marsh, D.E.Scott, M.T.Ehebauer, C.Abell, T.L.Blundell, M.Hyvonen. Atp Half-Sites in Rada and RAD51 Recombinases Bind Nucleotides Febs Open Bio V. 6 372 2016.
ISSN: ISSN 2211-5463
PubMed: 27419043
DOI: 10.1002/2211-5463.12052