Magnesium in PDB 5lq1: 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate

The structure of 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate, PDB code: 5lq1 was solved by C.Bisson, N.B.P.Adams, D.Polyviou, T.S.Bibby, C.N.Hunter, A.Hitchcock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.98 / 1.41
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.481, 53.703, 66.388, 84.82, 78.26, 69.74
R / Rfree (%)	18 / 23

The binding sites of Magnesium atom in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate (pdb code 5lq1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate, PDB code: 5lq1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:22.0 occ:1.00 O A:HOH470 2.0 22.5 1.0 O A:HOH465 2.1 20.8 1.0 O A:HOH456 2.1 21.3 1.0 O A:HOH517 2.1 28.4 1.0 O A:THR53 2.1 15.0 1.0 O A:HOH478 2.1 25.0 1.0 C A:THR53 3.3 14.0 1.0 CA A:THR53 4.0 18.8 1.0 O A:HOH438 4.1 17.2 1.0 O A:HOH414 4.2 23.2 1.0 N A:ASP54 4.4 13.2 1.0 O A:HOH458 4.4 24.6 1.0 CB A:THR53 4.5 15.6 1.0 O A:HOH404 4.6 18.9 1.0 CA A:ASP54 4.6 11.7 1.0 CB A:ASP54 4.8 12.7 1.0 O A:HOH505 4.9 34.5 1.0

Magnesium binding site 2 out of 4 in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:39.0 occ:1.00 O A:ILE47 2.0 23.2 1.0 O A:HOH469 2.1 44.7 1.0 OE2 A:GLU40 2.2 41.6 1.0 O A:HOH447 2.3 38.8 1.0 OE2 A:GLU36 2.4 30.8 1.0 C A:ILE47 3.1 19.6 1.0 CD A:GLU40 3.2 32.9 1.0 N A:ILE47 3.5 19.5 1.0 CD A:GLU36 3.5 29.7 1.0 CA A:ILE47 3.6 19.6 1.0 OE1 A:GLU40 3.7 31.8 1.0 CB A:ILE47 3.9 25.3 1.0 CG A:GLU36 4.0 23.6 1.0 N A:GLU48 4.2 17.8 1.0 CG A:GLU40 4.4 23.9 1.0 CG2 A:ILE47 4.4 19.8 1.0 OE1 A:GLU36 4.5 33.8 1.0 C A:ASP46 4.6 19.9 1.0 O A:HOH506 4.6 32.4 1.0 CA A:GLU48 4.6 26.5 1.0 CG A:GLU48 5.0 40.1 1.0 CA A:ASP46 5.0 25.4 1.0

Magnesium binding site 3 out of 4 in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:21.5 occ:1.00 O A:HOH516 2.0 27.1 1.0 O A:HOH410 2.0 22.1 1.0 O B:HOH472 2.1 22.4 1.0 O B:THR53 2.1 14.6 1.0 O A:HOH429 2.1 23.1 1.0 O B:HOH463 2.1 19.9 1.0 C B:THR53 3.3 14.8 1.0 CA B:THR53 4.0 14.8 1.0 OE1 A:GLU219 4.1 26.1 1.0 O B:HOH424 4.1 14.5 1.0 O B:HOH416 4.2 17.4 1.0 O B:HOH470 4.3 31.4 1.0 OE2 A:GLU219 4.3 31.5 1.0 N B:ASP54 4.4 12.9 1.0 O B:HOH448 4.4 20.8 1.0 O B:HOH464 4.4 27.1 1.0 O B:HOH419 4.5 14.7 1.0 CB B:THR53 4.5 15.5 1.0 CD A:GLU219 4.6 24.7 1.0 CA B:ASP54 4.6 13.7 1.0 CB B:ASP54 4.9 16.1 1.0

Magnesium binding site 4 out of 4 in the 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.41 A Resolution Structure of Ptxb From Trichodesmium Erythraeum IMS101 in Complex with Methylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:29.2 occ:1.00 O B:ILE47 1.8 18.8 1.0 O B:HOH401 1.9 38.8 1.0 OE2 B:GLU36 2.1 29.0 1.0 OE2 B:GLU40 2.2 31.3 1.0 O B:HOH445 2.2 33.1 1.0 C B:ILE47 2.9 18.0 1.0 CD B:GLU36 3.3 25.5 1.0 CD B:GLU40 3.4 24.3 1.0 N B:ILE47 3.5 26.4 1.0 CA B:ILE47 3.6 23.9 1.0 CB B:ILE47 3.9 19.6 1.0 CG B:GLU36 3.9 22.3 1.0 NE2 A:GLN251 3.9 68.5 1.0 N B:GLU48 4.0 21.3 1.0 OE1 B:GLU40 4.0 32.7 1.0 OE1 B:GLU36 4.2 26.1 1.0 CA B:GLU48 4.3 18.5 1.0 O B:HOH479 4.4 31.1 1.0 CG2 B:ILE47 4.4 21.4 1.0 CG B:GLU40 4.5 25.2 1.0 CG B:GLU48 4.6 30.2 1.0 C B:ASP46 4.6 23.9 1.0 CA B:ASP46 5.0 25.0 1.0

C.Bisson, N.B.P.Adams, B.Stevenson, A.A.Brindley, D.Polyviou, T.S.Bibby, P.J.Baker, C.N.Hunter, A.Hitchcock. The Molecular Basis of Phosphite and Hypophosphite Recognition By Abc-Transporters. Nat Commun V. 8 1746 2017.
ISSN: ESSN 2041-1723
PubMed: 29170493
DOI: 10.1038/S41467-017-01226-8