Magnesium in PDB 5tsh: Pilb From Geobacter Metallireducens Bound to Amp-Pnp

The structure of Pilb From Geobacter Metallireducens Bound to Amp-Pnp, PDB code: 5tsh was solved by M.Mccallum, S.Tammam, A.Khan, L.Burrows, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.76 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.320, 99.960, 109.790, 112.99, 106.60, 88.91
R / Rfree (%)	18.4 / 21.8

The structure of Pilb From Geobacter Metallireducens Bound to Amp-Pnp also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Magnesium atom in the Pilb From Geobacter Metallireducens Bound to Amp-Pnp (pdb code 5tsh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pilb From Geobacter Metallireducens Bound to Amp-Pnp, PDB code: 5tsh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Pilb From Geobacter Metallireducens Bound to Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pilb From Geobacter Metallireducens Bound to Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:32.1 occ:1.00 O1B A:ANP602 2.0 33.5 1.0 O1G A:ANP602 2.0 36.4 1.0 O A:HOH703 2.1 32.1 1.0 OG1 A:THR332 2.1 29.1 1.0 O A:HOH764 2.1 33.0 1.0 O A:HOH750 2.1 32.1 1.0 PB A:ANP602 3.2 32.1 1.0 CB A:THR332 3.2 29.4 1.0 PG A:ANP602 3.3 36.8 1.0 N3B A:ANP602 3.6 39.9 1.0 O A:HOH757 3.9 41.0 1.0 O3G A:ANP602 3.9 42.0 1.0 N A:THR332 4.0 29.3 1.0 O A:HOH779 4.0 48.2 1.0 OE2 A:GLU357 4.0 53.8 1.0 O2B A:ANP602 4.1 32.4 1.0 CA A:THR332 4.2 29.0 1.0 O A:HOH775 4.2 40.6 1.0 O A:HOH742 4.2 40.2 1.0 OE1 A:GLU357 4.3 63.2 1.0 CG2 A:THR332 4.3 29.4 1.0 O2A A:ANP602 4.3 32.1 1.0 O3A A:ANP602 4.4 32.1 1.0 O2G A:ANP602 4.5 42.0 1.0 CD A:GLU357 4.6 57.5 1.0 PA A:ANP602 4.7 32.1 1.0 O1A A:ANP602 4.8 32.1 1.0

Magnesium binding site 2 out of 2 in the Pilb From Geobacter Metallireducens Bound to Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pilb From Geobacter Metallireducens Bound to Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:34.6 occ:1.00 O2G C:ANP602 2.0 34.2 1.0 O2B C:ANP602 2.0 32.1 1.0 OG1 C:THR332 2.1 39.4 1.0 O C:HOH750 2.1 33.6 1.0 O C:HOH705 2.2 32.1 1.0 O C:HOH764 2.2 42.5 1.0 PG C:ANP602 3.3 39.1 1.0 PB C:ANP602 3.3 37.5 1.0 CB C:THR332 3.3 43.2 1.0 N3B C:ANP602 3.7 41.0 0.7 O1A C:ANP602 3.9 32.1 0.9 O3G C:ANP602 3.9 44.2 0.9 O C:HOH749 4.0 61.6 1.0 OE1 C:GLU357 4.1 59.6 1.0 N C:THR332 4.1 31.9 1.0 O1B C:ANP602 4.2 35.1 0.9 CA C:THR332 4.2 31.9 1.0 OE2 C:GLU357 4.3 60.4 1.0 O C:HOH760 4.3 56.0 1.0 CG2 C:THR332 4.3 40.6 1.0 O1G C:ANP602 4.4 49.8 0.8 O3A C:ANP602 4.5 35.7 0.9 CD C:GLU357 4.6 60.5 1.0 PA C:ANP602 4.7 33.5 1.0

M.Mccallum, S.Tammam, A.Khan, L.L.Burrows, P.L.Howell. The Molecular Mechanism of the Type Iva Pilus Motors. Nat Commun V. 8 15091 2017.
ISSN: ESSN 2041-1723
PubMed: 28474682
DOI: 10.1038/NCOMMS15091