Magnesium in PDB 3b1x: Crystal Structure of An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp

The structure of Crystal Structure of An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp, PDB code: 3b1x was solved by M.R.Ash, M.J.Maher, J.M.Guss, M.Jormakka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 2.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.700, 74.400, 156.100, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.9

The binding sites of Magnesium atom in the Crystal Structure of An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp (pdb code 3b1x). 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 An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp, PDB code: 3b1x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp


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 An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:9.5 occ:1.00 O2B A:GNP300 1.9 19.3 1.0 OG1 A:THR15 2.0 17.6 1.0 OG1 A:THR35 2.0 17.3 1.0 O3G A:GNP300 2.1 20.2 1.0 O A:HOH275 2.1 25.5 1.0 O A:HOH276 2.3 14.4 1.0 CB A:THR35 3.2 17.9 1.0 PG A:GNP300 3.2 18.2 1.0 PB A:GNP300 3.3 19.0 1.0 CB A:THR15 3.3 18.3 1.0 N3B A:GNP300 3.6 18.3 1.0 OD2 A:ASP53 3.7 18.2 1.0 O1G A:GNP300 3.7 19.1 1.0 N A:THR15 3.9 17.8 1.0 OD1 A:ASP53 3.9 17.1 1.0 O1B A:GNP300 4.0 21.0 1.0 N A:THR35 4.1 18.7 1.0 CG2 A:THR35 4.1 17.4 1.0 CA A:THR15 4.1 17.9 1.0 CA A:THR35 4.2 18.8 1.0 CG A:ASP53 4.2 18.1 1.0 CG2 A:THR15 4.3 18.9 1.0 O3A A:GNP300 4.4 20.5 1.0 O2A A:GNP300 4.4 19.1 1.0 O2G A:GNP300 4.5 18.1 1.0 O1A A:GNP300 4.6 20.6 1.0 O A:LEU54 4.6 17.8 1.0 O A:ARG27 4.7 17.5 1.0 CB A:LYS14 4.7 16.7 1.0 PA A:GNP300 4.8 20.3 1.0 CE A:LYS14 4.8 11.1 1.0 C A:LYS14 4.9 17.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp


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 An S. Thermophilus Nfeob E66A Mutant Bound to Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:15.6 occ:1.00 O2B B:GNP300 1.9 18.1 1.0 O B:HOH274 2.0 17.1 1.0 OG1 B:THR15 2.0 14.8 1.0 O3G B:GNP300 2.0 15.1 1.0 OG1 B:THR35 2.1 17.1 1.0 O B:HOH273 2.2 20.9 1.0 PG B:GNP300 3.1 15.3 1.0 CB B:THR35 3.2 18.2 1.0 PB B:GNP300 3.3 16.8 1.0 CB B:THR15 3.3 16.7 1.0 N3B B:GNP300 3.5 16.4 1.0 O1G B:GNP300 3.7 14.2 1.0 N B:THR35 3.9 18.4 1.0 N B:THR15 4.0 16.6 1.0 O1B B:GNP300 4.1 18.1 1.0 CA B:THR35 4.1 18.8 1.0 OD2 B:ASP53 4.2 18.8 1.0 CA B:THR15 4.2 16.6 1.0 CG2 B:THR15 4.2 15.9 1.0 OD1 B:ASP53 4.2 17.4 1.0 O B:HOH272 4.2 5.0 1.0 CG2 B:THR35 4.3 17.8 1.0 O2A B:GNP300 4.3 13.1 1.0 O3A B:GNP300 4.4 15.0 1.0 O2G B:GNP300 4.4 14.5 1.0 O1A B:GNP300 4.5 14.3 1.0 O B:ARG27 4.6 21.1 1.0 PA B:GNP300 4.7 13.6 1.0 CG B:ASP53 4.7 17.4 1.0 O B:LEU54 4.7 15.6 1.0 CE B:LYS14 4.8 13.2 1.0 CB B:LYS14 4.8 15.9 1.0 CB B:VAL34 4.9 18.2 1.0

M.R.Ash, M.J.Maher, J.M.Guss, M.Jormakka. A Suite of Switch I and Switch II Mutant Structures From the G-Protein Domain of Feob Acta Crystallogr.,Sect.D V. 67 973 2011.
ISSN: ISSN 0907-4449
PubMed: 22101824
DOI: 10.1107/S0907444911039461