Magnesium in PDB 8qyz: Crystal Structure of HINES2 in Complex with XPO1 and Rangtp

The structure of Crystal Structure of HINES2 in Complex with XPO1 and Rangtp, PDB code: 8qyz was solved by O.Rymarenko, T.Huyton, D.Gorlich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.79 / 3.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	97.355, 105.572, 170.4, 82.08, 86.67, 76.67
R / Rfree (%)	21.8 / 24.7

The binding sites of Magnesium atom in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp (pdb code 8qyz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp, PDB code: 8qyz:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of HINES2 in Complex with XPO1 and Rangtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:44.8 occ:1.00 OG1 A:THR44 2.0 44.8 1.0 O1B A:GTP201 2.0 42.5 1.0 O A:HOH301 2.0 36.2 1.0 O1G A:GTP201 2.0 45.5 1.0 OG1 A:THR26 2.0 50.7 1.0 CB A:THR44 2.9 45.4 1.0 PG A:GTP201 3.1 44.1 1.0 PB A:GTP201 3.3 40.7 1.0 O3G A:GTP201 3.3 42.6 1.0 CB A:THR26 3.4 50.5 1.0 O3B A:GTP201 3.5 42.6 1.0 N A:THR44 3.7 52.8 1.0 OD1 A:ASP67 3.7 55.3 1.0 OD2 A:ASP67 3.7 58.3 1.0 O3A A:GTP201 3.9 45.8 1.0 CA A:THR44 3.9 49.3 1.0 CG2 A:THR44 4.0 44.0 1.0 N A:THR26 4.0 46.7 1.0 CG A:ASP67 4.1 54.9 1.0 CA A:THR26 4.2 50.5 1.0 O A:THR68 4.3 52.5 1.0 CG2 A:THR26 4.3 52.9 1.0 O2G A:GTP201 4.4 46.7 1.0 O2A A:GTP201 4.5 48.3 1.0 O2B A:GTP201 4.6 38.6 1.0 CE A:LYS25 4.6 38.9 1.0 CB A:LYS25 4.8 42.6 1.0 NZ A:LYS25 4.8 38.3 1.0 PA A:GTP201 4.8 47.7 1.0 C A:ALA43 4.8 60.1 1.0 O A:ILE42 5.0 53.7 1.0 C A:THR68 5.0 52.0 1.0 CA A:ALA69 5.0 49.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of HINES2 in Complex with XPO1 and Rangtp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:59.7 occ:1.00 OG1 B:THR26 2.0 62.3 1.0 O B:HOH301 2.0 45.6 1.0 O1G B:GTP201 2.0 63.2 1.0 OG1 B:THR44 2.0 60.4 1.0 O1B B:GTP201 2.0 58.4 1.0 PG B:GTP201 3.0 59.5 1.0 CB B:THR44 3.1 59.4 1.0 CB B:THR26 3.2 63.0 1.0 PB B:GTP201 3.2 56.9 1.0 O3G B:GTP201 3.2 60.0 1.0 O3B B:GTP201 3.4 58.2 1.0 N B:THR44 3.4 67.1 1.0 O2A B:GTP201 3.6 65.7 1.0 CA B:THR44 3.8 63.3 1.0 O3A B:GTP201 3.9 61.5 1.0 OD2 B:ASP67 4.0 63.7 1.0 N B:THR26 4.0 60.3 1.0 CG2 B:THR26 4.1 63.3 1.0 CA B:THR26 4.2 63.9 1.0 PA B:GTP201 4.2 65.2 1.0 OD1 B:ASP67 4.2 61.1 1.0 CG2 B:THR44 4.3 56.6 1.0 O2G B:GTP201 4.3 62.0 1.0 O B:ILE42 4.3 73.5 1.0 C B:ALA43 4.4 70.7 1.0 O2B B:GTP201 4.5 55.1 1.0 CG B:ASP67 4.5 62.1 1.0 O1A B:GTP201 4.5 65.3 1.0 CA B:ALA43 4.7 70.6 1.0 O B:THR68 4.8 57.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of HINES2 in Complex with XPO1 and Rangtp within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg202 b:109.7 occ:1.00 O1G E:GTP201 2.0 108.7 1.0 OG1 E:THR26 2.0 111.6 1.0 OG1 E:THR44 2.1 115.5 1.0 O1B E:GTP201 2.1 108.1 1.0 PG E:GTP201 3.2 106.1 1.0 PB E:GTP201 3.2 106.0 1.0 CB E:THR26 3.3 112.7 1.0 CB E:THR44 3.4 118.6 1.0 OD1 E:ASP67 3.4 119.5 1.0 O3B E:GTP201 3.5 106.7 1.0 O3A E:GTP201 3.5 109.3 1.0 N E:THR26 3.6 107.1 1.0 O3G E:GTP201 3.7 101.5 1.0 OD2 E:ASP67 3.7 120.5 1.0 O2A E:GTP201 3.8 117.1 1.0 CA E:THR26 3.9 111.0 1.0 CG E:ASP67 4.0 120.5 1.0 O E:THR68 4.1 110.6 1.0 N E:THR44 4.2 118.5 1.0 CE E:LYS25 4.2 95.4 1.0 PA E:GTP201 4.2 114.6 1.0 CB E:LYS25 4.2 98.6 1.0 CG2 E:THR44 4.3 119.2 1.0 NZ E:LYS25 4.4 93.6 1.0 CG2 E:THR26 4.4 115.4 1.0 CA E:THR44 4.4 121.0 1.0 O2G E:GTP201 4.5 106.1 1.0 C E:LYS25 4.6 104.9 1.0 O2B E:GTP201 4.6 103.2 1.0 O1A E:GTP201 4.8 118.0 1.0 CA E:LYS25 4.8 100.4 1.0 N E:LYS25 4.9 98.7 1.0 C E:THR68 4.9 112.6 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of HINES2 in Complex with XPO1 and Rangtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of HINES2 in Complex with XPO1 and Rangtp within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg202 b:119.5 occ:1.00 OG1 G:THR44 2.0 126.0 1.0 OG1 G:THR26 2.0 122.4 1.0 O1G G:GTP201 2.0 121.4 1.0 O1B G:GTP201 2.0 121.0 1.0 CB G:THR44 3.0 129.7 1.0 PG G:GTP201 3.2 119.5 1.0 PB G:GTP201 3.3 119.1 1.0 CB G:THR26 3.3 126.1 1.0 O3B G:GTP201 3.6 118.8 1.0 O3G G:GTP201 3.6 115.3 1.0 OD1 G:ASP67 3.6 130.4 1.0 O2A G:GTP201 3.7 122.5 1.0 OD2 G:ASP67 3.8 133.2 1.0 N G:THR26 3.9 122.4 1.0 N G:THR44 3.9 130.1 1.0 O3A G:GTP201 3.9 118.8 1.0 CG2 G:THR44 4.0 131.0 1.0 CA G:THR44 4.1 131.9 1.0 CG G:ASP67 4.1 131.7 1.0 CA G:THR26 4.1 125.7 1.0 O G:THR68 4.2 116.5 1.0 PA G:GTP201 4.3 120.2 1.0 CG2 G:THR26 4.4 129.8 1.0 CE G:LYS25 4.5 105.5 1.0 O2G G:GTP201 4.5 119.9 1.0 CB G:LYS25 4.6 111.5 1.0 O2B G:GTP201 4.6 115.0 1.0 NZ G:LYS25 4.6 104.1 1.0 O1A G:GTP201 4.8 123.0 1.0 O G:ILE42 4.9 132.7 1.0 C G:LYS25 4.9 121.5 1.0 C G:THR68 5.0 117.1 1.0 C G:ALA43 5.0 131.5 1.0

O.Rymarenko, T.Huyton, D.Gorlich. Exploring Sequence Space and Engineering of XPO1-Dependent Neses To Be Published.