Magnesium in PDB 5it5: Thermus Thermophilus Pilb Core Atpase Region

The structure of Thermus Thermophilus Pilb Core Atpase Region, PDB code: 5it5 was solved by J.Mancl, H.Robinson, W.Black, Z.Yang, F.Schubot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.29 / 2.65
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.550, 133.560, 208.420, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 27.4

The structure of Thermus Thermophilus Pilb Core Atpase Region also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Magnesium atom in the Thermus Thermophilus Pilb Core Atpase Region (pdb code 5it5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thermus Thermophilus Pilb Core Atpase Region, PDB code: 5it5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Thermus Thermophilus Pilb Core Atpase Region


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermus Thermophilus Pilb Core Atpase Region within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg903 b:43.5 occ:1.00 OG B:SER656 1.4 42.4 1.0 O B:HOH1018 2.1 42.5 1.0 O2B B:AGS901 2.5 43.3 1.0 CB B:SER656 2.6 35.9 1.0 O2G B:AGS901 2.6 59.4 1.0 OE2 B:GLU681 2.8 60.0 1.0 CA B:SER656 3.8 30.1 1.0 CD B:GLU681 3.8 60.8 1.0 N B:SER656 4.0 37.0 1.0 PB B:AGS901 4.0 36.8 1.0 OE1 B:GLU681 4.0 54.2 1.0 O1A B:AGS901 4.0 46.3 1.0 PG B:AGS901 4.2 54.6 1.0 O B:HOH1040 4.2 35.7 1.0 O3B B:AGS901 4.6 44.8 1.0 O3A B:AGS901 4.9 42.2 1.0 S1G B:AGS901 4.9 59.5 1.0 O1B B:AGS901 5.0 38.1 1.0 PA B:AGS901 5.0 39.8 1.0

Magnesium binding site 2 out of 2 in the Thermus Thermophilus Pilb Core Atpase Region


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermus Thermophilus Pilb Core Atpase Region within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg903 b:41.1 occ:1.00 OG E:SER656 2.0 44.9 1.0 O E:HOH1012 2.6 49.2 1.0 O3G E:AGS901 2.6 43.0 1.0 O1B E:AGS901 3.0 36.7 1.0 O E:HOH1013 3.1 33.9 1.0 CB E:SER656 3.4 36.5 1.0 OE2 E:GLU681 3.8 51.0 1.0 PG E:AGS901 4.0 40.8 1.0 PB E:AGS901 4.3 35.1 1.0 CA E:SER656 4.4 34.1 1.0 N E:SER656 4.4 36.1 1.0 O3B E:AGS901 4.5 41.5 1.0 O2A E:AGS901 4.6 43.6 1.0 O E:HOH1025 4.7 24.6 1.0 O2G E:AGS901 4.9 39.1 1.0 CD E:GLU681 4.9 56.5 1.0 O E:GLY718 4.9 37.4 1.0

J.M.Mancl, W.P.Black, H.Robinson, Z.Yang, F.D.Schubot. Crystal Structure of A Type IV Pilus Assembly Atpase: Insights Into the Molecular Mechanism of Pilb From Thermus Thermophilus. Structure V. 24 1886 2016.
ISSN: ISSN 0969-2126
PubMed: 27667690
DOI: 10.1016/J.STR.2016.08.010