Magnesium in PDB 3sop: Crystal Structure of Human Septin 3 Gtpase Domain

The structure of Crystal Structure of Human Septin 3 Gtpase Domain, PDB code: 3sop was solved by I.A.Marques, J.N.A.Macedo, H.M.Pereira, N.F.Valadares, 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)	49.35 / 2.88
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.244, 150.414, 157.997, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 27.2

The binding sites of Magnesium atom in the Crystal Structure of Human Septin 3 Gtpase Domain (pdb code 3sop). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Septin 3 Gtpase Domain, PDB code: 3sop:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Septin 3 Gtpase Domain


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 Human Septin 3 Gtpase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:50.6 occ:1.00 OG A:SER75 2.1 47.9 1.0 O A:HOH504 2.1 55.1 1.0 OG1 A:THR102 2.1 60.4 1.0 O A:HOH502 2.2 47.9 1.0 O A:HOH503 2.2 58.5 1.0 O3B A:GDP402 2.2 45.0 1.0 CB A:THR102 3.2 64.2 1.0 N A:THR102 3.4 63.1 1.0 CB A:SER75 3.5 47.0 1.0 PB A:GDP402 3.5 47.3 1.0 O2B A:GDP402 3.8 47.5 1.0 O1A A:GDP402 3.8 50.1 1.0 CA A:THR102 3.9 63.8 1.0 O A:THR126 4.2 67.2 1.0 N A:SER75 4.3 51.5 1.0 O1B A:GDP402 4.4 55.3 1.0 CA A:SER75 4.4 49.0 1.0 CG2 A:THR102 4.4 68.9 1.0 OD1 A:ASP125 4.5 64.1 1.0 C A:LYS101 4.5 65.6 1.0 O3A A:GDP402 4.6 43.5 1.0 O A:PRO100 4.6 59.8 1.0 CA A:LYS101 4.6 63.3 1.0 OD2 A:ASP125 4.8 52.2 1.0 PA A:GDP402 4.9 45.1 1.0 CG A:ASP125 4.9 61.0 1.0 NE2 B:HIS183 4.9 60.0 1.0 O A:THR102 4.9 61.3 1.0 C A:THR102 5.0 65.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Septin 3 Gtpase Domain


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 Human Septin 3 Gtpase Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:67.7 occ:1.00 O1B B:GDP402 2.3 56.9 1.0 O B:HOH506 2.3 63.0 1.0 OG B:SER75 2.3 50.4 1.0 OG1 B:THR102 2.4 63.4 1.0 O B:HOH507 2.5 54.6 1.0 O B:HOH501 2.6 46.9 1.0 CB B:SER75 3.6 52.4 1.0 PB B:GDP402 3.6 56.8 1.0 CB B:THR102 3.7 67.8 1.0 N B:THR102 3.9 75.2 1.0 O1A B:GDP402 4.0 51.0 1.0 O3B B:GDP402 4.1 55.7 1.0 O2B B:GDP402 4.2 62.5 1.0 OD1 B:ASP125 4.2 61.9 1.0 N B:SER75 4.3 59.8 1.0 O B:THR126 4.4 71.8 1.0 CA B:THR102 4.4 63.8 1.0 CA B:SER75 4.5 53.0 1.0 OD2 B:ASP125 4.6 63.2 1.0 CG2 B:THR102 4.7 68.4 1.0 O B:PRO100 4.7 71.9 1.0 CG B:ASP125 4.7 64.4 1.0 O3A B:GDP402 4.8 53.4 1.0 C B:LYS101 4.9 69.7 1.0 NZ B:LYS74 4.9 55.5 1.0 CA B:LYS101 4.9 58.2 1.0 CE B:LYS74 4.9 54.4 1.0 NE2 A:HIS183 4.9 63.8 1.0

J.N.Macedo, N.F.Valadares, I.A.Marques, F.M.Ferreira, J.C.Damalio, H.M.Pereira, R.C.Garratt, A.P.Araujo. The Structure and Properties of Septin 3: A Possible Missing Link in Septin Filament Formation. Biochem.J. V. 450 95 2013.
ISSN: ISSN 0264-6021
PubMed: 23163726
DOI: 10.1042/BJ20120851