Magnesium in PDB 4ihq: Archaellum Assembly Atpase Flai Bound to Adp

All present enzymatic activity of Archaellum Assembly Atpase Flai Bound to Adp:
3.6.1.4;

The structure of Archaellum Assembly Atpase Flai Bound to Adp, PDB code: 4ihq was solved by S.Reindl, G.J.Williams, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.99 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.462, 148.083, 123.631, 90.00, 131.60, 90.00
R / Rfree (%)	18.6 / 21.4

The binding sites of Magnesium atom in the Archaellum Assembly Atpase Flai Bound to Adp (pdb code 4ihq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Archaellum Assembly Atpase Flai Bound to Adp, PDB code: 4ihq:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Archaellum Assembly Atpase Flai Bound to Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Archaellum Assembly Atpase Flai Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:32.3 occ:1.00 O A:HOH829 1.9 31.8 1.0 OG1 A:THR269 2.0 25.6 1.0 O3B A:ADP601 2.0 31.4 1.0 O A:HOH844 2.0 29.5 1.0 O A:HOH828 2.0 29.6 1.0 O A:HOH830 2.1 31.3 1.0 CB A:THR269 3.0 31.4 1.0 PB A:ADP601 3.2 34.2 1.0 O1B A:ADP601 3.4 34.6 1.0 N A:THR269 3.9 34.4 1.0 O1A A:ADP601 4.0 31.2 1.0 CA A:THR269 4.0 32.7 1.0 O A:HOH831 4.0 53.2 1.0 O3 A:PO4603 4.0 40.3 0.6 CG2 A:THR269 4.1 32.5 1.0 O A:HOH781 4.2 33.3 1.0 O2B A:ADP601 4.2 33.1 1.0 OE1 A:GLU293 4.3 39.5 1.0 O3A A:ADP601 4.3 30.8 1.0 OE2 A:GLU293 4.3 35.4 1.0 PA A:ADP601 4.5 32.3 1.0 O4 A:PO4603 4.6 55.9 0.6 CD A:GLU293 4.7 37.8 1.0 OG1 A:THR358 4.7 28.9 1.0 O2A A:ADP601 4.7 31.7 1.0 NZ A:LYS268 4.9 31.7 1.0

Magnesium binding site 2 out of 3 in the Archaellum Assembly Atpase Flai Bound to Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Archaellum Assembly Atpase Flai Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:36.0 occ:1.00 O1B B:ADP601 2.5 26.5 0.9 O C:HOH784 2.9 49.0 1.0 O B:HOH833 3.0 25.4 1.0 O B:HOH930 3.1 25.8 1.0 O3B B:ADP601 3.1 20.8 0.9 PB B:ADP601 3.2 26.3 0.9 O B:HOH744 3.2 27.9 1.0 O C:HOH867 3.3 49.7 1.0 O B:HOH794 3.6 27.7 1.0 O B:HOH789 4.0 26.1 1.0 O B:HOH921 4.0 37.0 1.0 OG1 B:THR269 4.2 29.5 1.0 O2B B:ADP601 4.2 27.7 0.9 O3A B:ADP601 4.6 27.5 0.9 O B:HOH877 4.6 52.2 1.0 NZ B:LYS268 4.6 30.1 1.0 O1A B:ADP601 4.6 30.4 0.9 CE B:LYS268 4.8 29.0 1.0 O C:THR351 4.8 30.1 1.0

Magnesium binding site 3 out of 3 in the Archaellum Assembly Atpase Flai Bound to Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Archaellum Assembly Atpase Flai Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:32.0 occ:1.00 O C:HOH838 2.0 32.9 1.0 O3B C:ADP601 2.0 31.9 1.0 O C:HOH847 2.0 27.8 1.0 O C:HOH837 2.1 29.4 1.0 OG1 C:THR269 2.2 34.5 1.0 O C:HOH839 2.2 30.2 0.8 CB C:THR269 3.1 38.0 1.0 PB C:ADP601 3.4 36.0 1.0 O1B C:ADP601 3.7 36.0 1.0 N C:THR269 3.9 41.0 1.0 O C:HOH927 4.0 47.6 1.0 O C:HOH840 4.0 37.8 1.0 O C:HOH714 4.0 31.2 1.0 CA C:THR269 4.1 38.8 1.0 O1A C:ADP601 4.2 36.8 1.0 OE1 C:GLU293 4.2 40.1 1.0 CG2 C:THR269 4.2 41.3 1.0 OE2 C:GLU293 4.3 47.6 1.0 O2B C:ADP601 4.4 29.2 1.0 O3A C:ADP601 4.4 35.7 1.0 OG1 C:THR358 4.5 32.5 1.0 PA C:ADP601 4.7 39.2 1.0 CD C:GLU293 4.7 42.8 1.0 O C:HOH825 4.7 51.5 1.0 CB C:LYS268 4.9 32.2 1.0 CE C:LYS268 4.9 36.2 1.0 O2A C:ADP601 4.9 41.3 1.0

S.Reindl, A.Ghosh, G.J.Williams, K.Lassak, T.Neiner, A.L.Henche, S.V.Albers, J.A.Tainer. Insights Into Flai Functions in Archaeal Motor Assembly and Motility From Structures, Conformations, and Genetics. Mol.Cell V. 49 1069 2013.
ISSN: ISSN 1097-2765
PubMed: 23416110
DOI: 10.1016/J.MOLCEL.2013.01.014