Magnesium in PDB 3ftq: Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+

The structure of Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+, PDB code: 3ftq was solved by M.Sirajuddin, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.980, 118.440, 190.820, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 29

The binding sites of Magnesium atom in the Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+ (pdb code 3ftq). 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 Septin 2 in Complex with Gppnhp and MG2+, PDB code: 3ftq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+


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 Septin 2 in Complex with Gppnhp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg371 b:28.1 occ:1.00 O A:HOH320 1.9 31.8 1.0 O2B A:GNP372 1.9 29.4 1.0 O1G A:GNP372 1.9 28.8 1.0 O A:HOH321 2.1 21.8 1.0 OG1 A:THR78 2.2 26.4 1.0 OG A:SER51 2.2 19.1 1.0 PG A:GNP372 2.8 29.9 1.0 PB A:GNP372 3.0 29.7 1.0 N3B A:GNP372 3.0 29.8 1.0 CB A:THR78 3.2 26.9 1.0 CB A:SER51 3.4 19.0 1.0 O2G A:GNP372 3.4 29.2 1.0 N A:THR78 3.6 27.9 1.0 O2A A:GNP372 3.9 28.0 1.0 N A:SER51 3.9 18.5 1.0 O1B A:GNP372 4.0 28.0 1.0 CA A:THR78 4.0 27.0 1.0 O3A A:GNP372 4.1 29.0 1.0 O3G A:GNP372 4.1 28.3 1.0 OD1 A:ASP101 4.2 21.9 1.0 CA A:SER51 4.2 19.3 1.0 OD2 A:ASP101 4.2 22.2 1.0 O A:HOH326 4.3 44.3 1.0 PA A:GNP372 4.3 28.1 1.0 CG2 A:THR78 4.4 26.8 1.0 O1A A:GNP372 4.6 27.0 1.0 O A:THR102 4.6 22.5 1.0 CG A:ASP101 4.6 22.2 1.0 O A:GLU76 4.7 31.1 1.0 C A:ARG77 4.7 29.1 1.0 CB A:LYS50 4.8 16.3 1.0 CA A:ARG77 4.9 29.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+


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 Septin 2 in Complex with Gppnhp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg371 b:29.3 occ:1.00 O2B B:GNP372 1.9 33.8 1.0 OG B:SER51 1.9 17.2 1.0 O B:HOH27 2.0 47.6 1.0 O1G B:GNP372 2.2 34.3 1.0 O B:HOH6 2.3 24.5 1.0 OG1 B:THR78 2.3 26.7 1.0 CB B:SER51 3.1 17.1 1.0 PB B:GNP372 3.1 34.9 1.0 PG B:GNP372 3.3 33.3 1.0 O2A B:GNP372 3.3 37.0 1.0 CB B:THR78 3.3 27.8 1.0 N3B B:GNP372 3.4 33.0 1.0 N B:THR78 3.7 29.5 1.0 N B:SER51 3.8 16.6 1.0 O2G B:GNP372 3.9 33.8 1.0 OD2 B:ASP101 4.0 19.9 1.0 CA B:SER51 4.0 17.4 1.0 CA B:THR78 4.1 27.9 1.0 O3A B:GNP372 4.1 36.0 1.0 O1B B:GNP372 4.2 34.1 1.0 PA B:GNP372 4.2 37.1 1.0 OD1 B:ASP101 4.2 19.6 1.0 O B:HOH314 4.3 56.4 1.0 O3G B:GNP372 4.4 32.2 1.0 CG2 B:THR78 4.5 26.9 1.0 CG B:ASP101 4.5 19.6 1.0 O B:GLU76 4.6 34.6 1.0 C B:ARG77 4.7 31.1 1.0 O B:THR102 4.8 19.9 1.0 O1A B:GNP372 4.9 34.7 1.0 CA B:ARG77 4.9 32.2 1.0 CB B:LYS50 4.9 14.3 1.0 C B:LYS50 5.0 15.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+


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 Septin 2 in Complex with Gppnhp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg371 b:42.4 occ:1.00 OG1 C:THR78 2.0 31.4 1.0 O1G C:GNP372 2.0 38.6 1.0 OG C:SER51 2.0 23.1 1.0 O2B C:GNP372 2.1 37.7 1.0 O C:HOH315 2.1 17.5 1.0 O C:HOH318 2.1 46.6 1.0 CB C:THR78 3.2 31.9 1.0 PG C:GNP372 3.2 38.5 1.0 CB C:SER51 3.3 23.9 1.0 PB C:GNP372 3.4 38.1 1.0 N C:THR78 3.5 32.6 1.0 N3B C:GNP372 3.5 38.1 1.0 O2A C:GNP372 3.7 40.2 1.0 O2G C:GNP372 3.9 39.2 1.0 N C:SER51 3.9 23.8 1.0 CA C:THR78 3.9 31.9 1.0 OD2 C:ASP101 4.0 19.8 1.0 OD1 C:ASP101 4.0 19.8 1.0 O C:GLU76 4.2 34.9 1.0 CA C:SER51 4.2 24.3 1.0 CG2 C:THR78 4.3 31.6 1.0 O3G C:GNP372 4.3 38.3 1.0 O3A C:GNP372 4.4 39.3 1.0 O1B C:GNP372 4.4 37.6 1.0 CG C:ASP101 4.4 20.0 1.0 PA C:GNP372 4.5 40.6 1.0 O C:THR102 4.6 20.2 1.0 C C:ARG77 4.6 33.4 1.0 CB C:LYS50 4.7 21.8 1.0 CA C:ARG77 4.9 34.0 1.0 C C:LYS50 5.0 22.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Septin 2 in Complex with Gppnhp and MG2+


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 Septin 2 in Complex with Gppnhp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg371 b:36.5 occ:1.00 O D:HOH317 1.9 27.4 1.0 OG1 D:THR78 2.0 28.8 1.0 O D:HOH5 2.0 35.5 1.0 O1G D:GNP372 2.0 32.0 1.0 O2B D:GNP372 2.1 30.0 1.0 OG D:SER51 2.2 17.2 1.0 CB D:THR78 3.0 29.8 1.0 PG D:GNP372 3.1 31.8 1.0 PB D:GNP372 3.3 31.3 1.0 CB D:SER51 3.3 16.9 1.0 N3B D:GNP372 3.5 31.1 1.0 N D:THR78 3.5 30.9 1.0 O2G D:GNP372 3.7 31.9 1.0 CA D:THR78 3.9 30.0 1.0 N D:SER51 4.0 16.4 1.0 OD1 D:ASP101 4.1 19.6 1.0 OD2 D:ASP101 4.1 19.4 1.0 CG2 D:THR78 4.1 29.5 1.0 CA D:SER51 4.2 17.3 1.0 O1B D:GNP372 4.3 30.6 1.0 O3G D:GNP372 4.3 31.8 1.0 O2A D:GNP372 4.4 30.6 1.0 O3A D:GNP372 4.4 31.5 1.0 CG D:ASP101 4.5 19.6 1.0 O D:THR102 4.5 20.0 1.0 C D:ARG77 4.5 31.8 1.0 PA D:GNP372 4.7 30.9 1.0 O1A D:GNP372 4.8 29.3 1.0 O D:HOH308 4.9 46.6 1.0 CB D:LYS50 4.9 14.3 1.0 CA D:ARG77 5.0 32.5 1.0

M.Sirajuddin, M.Farkasovsky, E.Zent, A.Wittinghofer. Gtp-Induced Conformational Changes in Septins and Implications For Function Proc.Natl.Acad.Sci.Usa V. 106 16592 2009.
ISSN: ISSN 0027-8424
PubMed: 19805342
DOI: 10.1073/PNAS.0902858106