Magnesium in PDB 3se5: Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp

The structure of Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp, PDB code: 3se5 was solved by A.Goepfert, F.Stanger, T.Schirmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.945, 65.031, 75.995, 90.00, 107.08, 90.00
R / Rfree (%)	15.9 / 19.7

The binding sites of Magnesium atom in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp (pdb code 3se5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp, PDB code: 3se5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:40.5 occ:1.00 O A:HOH410 2.2 39.8 1.0 O A:HOH390 2.4 35.9 1.0 O2B A:ANP201 2.4 22.0 1.0 O2A A:ANP201 2.4 13.7 1.0 PB A:ANP201 3.4 20.2 1.0 N3B A:ANP201 3.5 17.2 1.0 PA A:ANP201 3.6 16.5 1.0 O3A A:ANP201 3.9 17.5 1.0 NZ A:LYS67 3.9 37.7 1.0 O1A A:ANP201 4.3 13.3 1.0 NH2 A:ARG115 4.5 23.1 1.0 N A:GLY112 4.7 10.3 1.0 OE1 A:GLU111 4.7 50.9 1.0 O1B A:ANP201 4.8 19.3 1.0 O5' A:ANP201 4.9 16.3 1.0 O A:HOH332 5.0 29.1 1.0

Magnesium binding site 2 out of 4 in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg204 b:39.6 occ:1.00 O B:HOH394 2.1 36.2 1.0 O2B B:ANP201 2.3 19.3 1.0 O2A B:ANP201 2.3 17.8 1.0 O B:HOH393 2.5 40.5 1.0 PB B:ANP201 3.3 19.6 1.0 PA B:ANP201 3.4 16.1 1.0 N3B B:ANP201 3.6 17.2 1.0 O3A B:ANP201 3.8 16.3 1.0 NZ B:LYS67 3.9 34.7 1.0 OE1 B:GLU111 4.0 49.9 1.0 O1A B:ANP201 4.2 14.8 1.0 O B:HOH308 4.2 39.3 1.0 NH2 B:ARG115 4.4 22.7 1.0 N B:GLY112 4.5 13.0 1.0 O B:HOH392 4.6 32.1 1.0 O1B B:ANP201 4.8 17.1 1.0 O5' B:ANP201 4.8 15.3 1.0

Magnesium binding site 3 out of 4 in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg203 b:38.5 occ:1.00 O C:HOH421 2.2 46.5 1.0 O C:HOH420 2.2 38.7 1.0 O2B C:ANP201 2.4 19.6 1.0 O2A C:ANP201 2.5 15.7 1.0 PB C:ANP201 3.5 19.8 1.0 N3B C:ANP201 3.6 17.6 1.0 PA C:ANP201 3.7 14.1 1.0 O3A C:ANP201 3.9 14.3 1.0 NZ C:LYS67 4.1 33.7 1.0 O1A C:ANP201 4.3 11.6 1.0 NH2 C:ARG115 4.4 22.4 1.0 N C:GLY112 4.6 12.0 1.0 OE1 C:GLU111 4.6 56.9 1.0 O C:HOH409 4.7 39.9 1.0 O1B C:ANP201 4.9 18.8 1.0 CB C:GLU111 5.0 18.7 1.0 O5' C:ANP201 5.0 14.9 1.0

Magnesium binding site 4 out of 4 in the Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Fic Protein From Neisseria Meningitidis Mutant DELTA8 in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:42.9 occ:1.00 O D:HOH377 2.1 34.9 1.0 O D:HOH399 2.2 45.9 1.0 O2B D:ANP201 2.3 26.4 1.0 O2A D:ANP201 2.5 15.9 1.0 PB D:ANP201 3.4 22.3 1.0 N3B D:ANP201 3.5 21.0 1.0 PA D:ANP201 3.6 19.6 1.0 O3A D:ANP201 3.8 18.4 1.0 NZ D:LYS67 4.2 31.3 1.0 O1A D:ANP201 4.3 14.1 1.0 NH2 D:ARG115 4.4 20.8 1.0 N D:GLY112 4.5 12.9 1.0 O1B D:ANP201 4.8 21.5 1.0 O5' D:ANP201 4.9 19.2 1.0 OE1 D:GLU111 4.9 54.5 1.0 O D:HOH373 5.0 36.2 1.0

P.Engel, A.Goepfert, F.V.Stanger, A.Harms, A.Schmidt, T.Schirmer, C.Dehio. Adenylylation Control By Intra- or Intermolecular Active-Site Obstruction in Fic Proteins. Nature V. 482 107 2012.
ISSN: ISSN 0028-0836
PubMed: 22266942
DOI: 10.1038/NATURE10729