Magnesium in PDB 6ojx: PILT4 From Geobacter Metallireducens Bound to Atp

The structure of PILT4 From Geobacter Metallireducens Bound to Atp, PDB code: 6ojx was solved by M.Mccallum, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.55 / 1.89
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	190.187, 190.187, 60.455, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 21.2

The binding sites of Magnesium atom in the PILT4 From Geobacter Metallireducens Bound to Atp (pdb code 6ojx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the PILT4 From Geobacter Metallireducens Bound to Atp, PDB code: 6ojx:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the PILT4 From Geobacter Metallireducens 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 PILT4 From Geobacter Metallireducens Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:28.8 occ:1.00 O A:HOH626 2.0 31.5 1.0 O A:HOH544 2.1 32.8 1.0 O A:HOH538 2.1 32.7 1.0 OG A:SER138 2.1 40.0 1.0 O1B A:ATP406 2.1 41.7 0.5 O1G A:ATP406 2.2 43.3 0.5 O1G A:ATP406 2.2 43.3 0.5 O1B A:ATP406 2.2 37.5 0.5 CB A:SER138 3.1 36.0 1.0 PB A:ATP406 3.3 37.1 0.5 PG A:ATP406 3.3 39.9 0.5 PG A:ATP406 3.4 39.9 0.5 PB A:ATP406 3.4 37.2 0.5 O3B A:ATP406 3.4 38.8 0.5 O3B A:ATP406 3.5 38.5 0.5 O A:HOH525 3.8 41.1 1.0 NH1 A:ARG83 3.9 36.5 1.0 N A:SER138 4.0 34.9 1.0 OE1 A:GLU164 4.1 41.9 1.0 CA A:SER138 4.1 34.1 1.0 OE2 A:GLU164 4.1 38.4 1.0 O1A A:ATP406 4.1 36.6 0.5 O1A A:ATP406 4.2 36.6 0.5 O2G A:ATP406 4.2 37.8 0.5 O2B A:ATP406 4.2 36.8 0.5 O2G A:ATP406 4.3 37.8 0.5 O A:HOH732 4.3 57.4 1.0 O2B A:ATP406 4.3 36.8 0.5 O3G A:ATP406 4.4 41.3 0.5 O3G A:ATP406 4.4 41.4 0.5 O3A A:ATP406 4.5 37.3 0.5 O A:HOH577 4.5 35.0 1.0 CD A:GLU164 4.5 40.0 1.0 O3A A:ATP406 4.5 37.5 0.5 O A:HOH643 4.6 37.9 1.0 PA A:ATP406 4.7 37.8 0.5 PA A:ATP406 4.8 37.9 0.5 O2A A:ATP406 4.9 37.4 0.5 O2A A:ATP406 4.9 37.4 0.5

Magnesium binding site 2 out of 3 in the PILT4 From Geobacter Metallireducens 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 PILT4 From Geobacter Metallireducens Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:25.5 occ:1.00 O B:HOH657 2.0 27.4 1.0 OG B:SER138 2.1 37.1 1.0 O B:HOH571 2.1 28.7 1.0 O1B B:ATP404 2.1 35.8 0.5 O1B B:ATP404 2.1 35.8 0.5 O B:HOH549 2.1 29.0 1.0 O1G B:ATP404 2.2 37.2 0.5 O1G B:ATP404 2.2 37.1 0.5 CB B:SER138 3.1 32.7 1.0 PB B:ATP404 3.3 31.6 0.5 PB B:ATP404 3.3 31.8 0.5 PG B:ATP404 3.3 33.1 0.5 PG B:ATP404 3.3 33.1 0.5 O3B B:ATP404 3.4 32.2 0.5 O3B B:ATP404 3.5 32.3 0.5 O B:HOH531 3.9 34.9 1.0 N B:SER138 3.9 28.8 1.0 NH1 B:ARG83 4.0 30.7 1.0 CA B:SER138 4.1 29.5 1.0 O2A B:ATP404 4.1 30.7 0.5 OE2 B:GLU164 4.1 36.7 1.0 O2A B:ATP404 4.2 30.4 0.5 OE1 B:GLU164 4.2 38.0 1.0 O3G B:ATP404 4.2 30.9 0.5 O2B B:ATP404 4.2 30.2 0.5 O3G B:ATP404 4.2 30.9 0.5 O2B B:ATP404 4.2 29.9 0.5 O2G B:ATP404 4.4 35.1 0.5 O2G B:ATP404 4.4 35.1 0.5 O B:HOH766 4.4 56.7 1.0 O B:HOH565 4.4 36.2 1.0 O3A B:ATP404 4.4 30.9 0.5 O3A B:ATP404 4.5 30.8 0.5 CD B:GLU164 4.6 37.7 1.0 O A:HOH673 4.6 47.0 1.0 PA B:ATP404 4.7 30.5 0.5 O B:HOH602 4.7 39.0 1.0 PA B:ATP404 4.7 30.7 0.5 O1A B:ATP404 4.8 29.3 0.5 O1A B:ATP404 4.9 29.3 0.5

Magnesium binding site 3 out of 3 in the PILT4 From Geobacter Metallireducens Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of PILT4 From Geobacter Metallireducens Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:22.5 occ:1.00 O C:HOH716 2.1 22.1 1.0 O1B C:ATP404 2.1 30.8 0.5 O C:HOH634 2.1 27.1 1.0 O1B C:ATP404 2.1 30.5 0.6 OG C:SER138 2.1 25.8 1.0 O3G C:ATP404 2.1 31.2 0.6 O3G C:ATP404 2.2 31.8 0.5 O C:HOH535 2.2 24.9 1.0 CB C:SER138 3.2 23.7 1.0 PB C:ATP404 3.2 27.1 0.5 PB C:ATP404 3.2 27.2 0.6 PG C:ATP404 3.3 28.8 0.6 PG C:ATP404 3.3 28.7 0.5 O3B C:ATP404 3.4 26.6 0.5 O3B C:ATP404 3.4 26.4 0.6 N C:SER138 3.9 23.5 1.0 O C:HOH574 3.9 35.1 1.0 NH1 C:ARG83 4.0 26.5 1.0 CA C:SER138 4.1 23.6 1.0 O1G C:ATP404 4.1 26.1 0.6 O2B C:ATP404 4.1 26.0 0.6 O1G C:ATP404 4.1 26.5 0.5 O2B C:ATP404 4.1 26.2 0.5 OE2 C:GLU164 4.2 28.9 1.0 O1A C:ATP404 4.2 26.0 0.5 OE1 C:GLU164 4.2 31.6 1.0 O1A C:ATP404 4.2 25.7 0.6 O C:HOH876 4.3 53.9 1.0 O2G C:ATP404 4.4 28.9 0.6 O2G C:ATP404 4.4 29.4 0.5 O3A C:ATP404 4.4 26.2 0.5 O3A C:ATP404 4.5 26.1 0.6 O C:HOH611 4.5 29.4 1.0 O C:HOH689 4.6 35.0 1.0 CD C:GLU164 4.6 29.9 1.0 O C:HOH510 4.7 55.7 1.0 PA C:ATP404 4.7 26.9 0.5 PA C:ATP404 4.8 27.3 0.6 O2A C:ATP404 4.9 25.9 0.6 O2A C:ATP404 4.9 26.0 0.5 C C:LYS137 5.0 26.7 1.0

M.Mccallum, S.Benlekbir, S.Nguyen, S.Tammam, J.L.Rubinstein, L.L.Burrows, P.L.Howell. Multiple Conformations Facilitate Pilt Function in the Type IV Pilus. Nat Commun V. 10 5198 2019.
ISSN: ESSN 2041-1723
PubMed: 31729381
DOI: 10.1038/S41467-019-13070-Z