Magnesium in PDB 5cyp: Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S

The structure of Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S, PDB code: 5cyp was solved by S.S.Matos, D.A.Leonardo, H.M.Pereira, E.Horjales, A.P.U.Araujo, R.C.Garratt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.65 / 2.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.587, 79.156, 108.217, 90.00, 100.38, 90.00
R / Rfree (%)	25.2 / 29.7

The binding sites of Magnesium atom in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S (pdb code 5cyp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S, PDB code: 5cyp:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:33.4 occ:1.00 OG A:SER37 2.0 46.8 1.0 O2G A:GSP301 2.0 42.8 1.0 OG1 A:THR64 2.2 48.3 1.0 O2B A:GSP301 2.3 34.1 1.0 CB A:THR64 3.1 50.3 1.0 CB A:SER37 3.3 45.8 1.0 OD2 A:ASP87 3.3 49.1 1.0 PB A:GSP301 3.4 31.5 1.0 PG A:GSP301 3.5 38.6 1.0 OD1 A:ASP87 3.6 47.2 1.0 N A:SER37 3.7 44.5 1.0 O1B A:GSP301 3.8 31.1 1.0 O3G A:GSP301 3.8 37.2 1.0 CG A:ASP87 3.9 47.8 1.0 O3B A:GSP301 3.9 34.9 1.0 CG2 A:THR64 4.0 49.6 1.0 CA A:SER37 4.0 44.1 1.0 O A:THR88 4.2 49.5 1.0 CA A:THR64 4.3 53.0 1.0 N A:THR64 4.3 53.8 1.0 CB A:LYS36 4.5 45.4 1.0 O2A A:GSP301 4.5 36.7 1.0 CE A:LYS36 4.6 50.1 1.0 O3A A:GSP301 4.7 34.5 1.0 C A:LYS36 4.8 43.0 1.0 S1G A:GSP301 4.8 43.7 1.0 O1A A:GSP301 4.8 39.3 1.0 PA A:GSP301 4.9 35.6 1.0

Magnesium binding site 2 out of 4 in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:38.1 occ:1.00 OG B:SER37 2.1 62.7 1.0 O3G B:GSP301 2.1 43.2 1.0 OG1 B:THR64 2.3 67.3 1.0 O2B B:GSP301 2.4 41.9 1.0 CB B:THR64 3.1 68.4 1.0 OD2 B:ASP87 3.2 64.6 1.0 OD1 B:ASP87 3.3 62.6 1.0 CB B:SER37 3.4 62.7 1.0 PB B:GSP301 3.6 39.2 1.0 PG B:GSP301 3.6 40.0 1.0 CG B:ASP87 3.6 63.3 1.0 N B:SER37 3.7 57.8 1.0 CG2 B:THR64 3.7 66.9 1.0 O2G B:GSP301 3.8 35.7 1.0 O B:THR88 3.9 59.2 1.0 O1B B:GSP301 3.9 36.4 1.0 CA B:SER37 4.0 59.5 1.0 O3B B:GSP301 4.1 38.7 1.0 CB B:LYS36 4.2 56.1 1.0 CE B:LYS36 4.2 58.0 1.0 CA B:THR64 4.5 73.0 1.0 NZ B:LYS36 4.6 60.4 1.0 C B:LYS36 4.6 57.5 1.0 N B:THR64 4.7 74.8 1.0 C B:THR88 4.9 59.9 1.0 O3A B:GSP301 4.9 44.6 1.0 CA B:LYS36 4.9 56.4 1.0 S1G B:GSP301 4.9 47.9 1.0 O2A B:GSP301 5.0 46.1 1.0

Magnesium binding site 3 out of 4 in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:38.9 occ:1.00 OG C:SER37 2.0 47.9 1.0 O2G C:GSP301 2.0 37.5 1.0 OG1 C:THR64 2.2 48.7 1.0 O2B C:GSP301 2.5 33.4 1.0 CB C:THR64 3.1 48.8 1.0 OD2 C:ASP87 3.4 40.6 1.0 CB C:SER37 3.4 48.3 1.0 PG C:GSP301 3.5 35.6 1.0 OD1 C:ASP87 3.5 37.8 1.0 PB C:GSP301 3.5 32.0 1.0 O3G C:GSP301 3.5 32.6 1.0 O1B C:GSP301 3.7 27.1 1.0 N C:SER37 3.7 45.5 1.0 CG C:ASP87 3.8 38.8 1.0 CG2 C:THR64 3.9 47.5 1.0 O C:THR88 4.0 39.3 1.0 O3B C:GSP301 4.0 33.8 1.0 CA C:SER37 4.0 46.5 1.0 CE C:LYS36 4.3 45.0 1.0 CB C:LYS36 4.3 44.9 1.0 CA C:THR64 4.4 51.2 1.0 N C:THR64 4.5 52.7 1.0 NZ C:LYS36 4.5 46.5 1.0 C C:LYS36 4.7 46.3 1.0 S1G C:GSP301 4.8 38.0 1.0 O3A C:GSP301 4.9 34.5 1.0 O2A C:GSP301 4.9 36.4 1.0 CA C:LYS36 5.0 45.6 1.0 C C:THR88 5.0 39.2 1.0

Magnesium binding site 4 out of 4 in the Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:49.4 occ:1.00 OG D:SER37 2.0 51.4 1.0 O3G D:GSP301 2.0 45.4 1.0 OG1 D:THR64 2.1 52.3 1.0 O2B D:GSP301 2.3 42.5 1.0 OD2 D:ASP87 3.1 42.1 1.0 CB D:THR64 3.1 51.8 1.0 CB D:SER37 3.3 52.2 1.0 OD1 D:ASP87 3.4 39.0 1.0 PG D:GSP301 3.5 41.6 1.0 PB D:GSP301 3.6 39.0 1.0 CG D:ASP87 3.6 40.4 1.0 N D:SER37 3.8 47.8 1.0 CG2 D:THR64 3.8 51.2 1.0 O2G D:GSP301 3.9 39.4 1.0 O3B D:GSP301 4.0 38.7 1.0 CA D:SER37 4.0 50.1 1.0 O D:THR88 4.1 38.8 1.0 O1B D:GSP301 4.1 40.5 1.0 O1A D:GSP301 4.1 47.6 1.0 CA D:THR64 4.4 54.4 1.0 CB D:LYS36 4.4 48.8 1.0 N D:THR64 4.5 55.3 1.0 CE D:LYS36 4.5 47.3 1.0 C D:LYS36 4.7 51.4 1.0 O3A D:GSP301 4.8 43.8 1.0 S1G D:GSP301 4.9 47.4 1.0 PA D:GSP301 5.0 48.4 1.0

S.S.Matos, D.A.Leonardo, H.M.Pereira, E.Horjales, A.P.U.Araujo, R.C.Garratt. Gtpase Domain of Septin 9 in Complex with Gtp-Gamma-S To Be Published.