Manganese in PDB 8g5w: Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++

The structure of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++, PDB code: 8g5w was solved by C.Abad-Zapatero, A.I.Selezneva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.37 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.845, 75.879, 77.616, 67.83, 68.14, 76.37
R / Rfree (%)	16.1 / 20.5

The binding sites of Manganese atom in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ (pdb code 8g5w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++, PDB code: 8g5w:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn406 b:103.2 occ:1.00 O A:HOH527 2.2 55.1 1.0 OD1 A:ASP84 2.2 48.9 1.0 O A:LEU86 2.4 40.4 1.0 HO3 A:GOL402 3.0 63.5 1.0 C A:LEU86 3.2 37.1 1.0 CG A:ASP84 3.3 46.1 1.0 H A:LEU86 3.3 41.8 1.0 O A:HOH504 3.3 41.8 1.0 HA A:GLU87 3.4 46.7 1.0 OD2 A:ASP84 3.6 43.8 1.0 O3 A:GOL402 3.8 53.0 1.0 HG23 A:THR89 3.8 61.5 1.0 N A:GLU87 3.9 31.4 1.0 N A:LEU86 4.0 34.8 1.0 HD2 A:PRO85 4.1 52.7 1.0 CA A:GLU87 4.1 38.9 1.0 CA A:LEU86 4.2 30.0 1.0 H A:GLY88 4.3 43.1 1.0 OE1 A:GLU57 4.3 60.4 1.0 HA A:ASP84 4.3 48.0 1.0 HB3 A:LEU86 4.4 39.4 1.0 H A:GLU87 4.6 37.7 1.0 CB A:ASP84 4.6 41.9 1.0 CG2 A:THR89 4.6 51.2 1.0 HG21 A:THR89 4.6 61.5 1.0 HB2 A:GLU87 4.8 48.6 1.0 C3 A:GOL402 4.8 55.4 1.0 H31 A:GOL402 4.8 66.5 1.0 CA A:ASP84 4.8 40.0 1.0 OD1 A:ASP33 4.9 60.7 1.0 H A:THR89 4.9 50.2 1.0 N A:GLY88 4.9 36.0 1.0 C A:ASP84 4.9 42.9 1.0 CB A:LEU86 4.9 32.8 1.0 OE1 A:GLU214 4.9 50.7 1.0 CD A:PRO85 4.9 43.9 1.0 HG22 A:THR89 4.9 61.5 1.0 N A:PRO85 5.0 35.2 1.0

Manganese binding site 2 out of 4 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn405 b:98.9 occ:1.00 O B:HOH534 2.1 75.5 1.0 OD1 B:ASP84 2.2 48.4 1.0 O B:LEU86 2.3 38.7 1.0 C B:LEU86 3.1 39.2 1.0 H B:LEU86 3.1 43.0 1.0 HO1 B:GOL403 3.2 58.2 1.0 CG B:ASP84 3.2 47.4 1.0 O B:HOH506 3.2 40.5 1.0 HA B:GLU87 3.4 45.2 1.0 HG23 B:THR89 3.7 54.5 1.0 OD2 B:ASP84 3.7 39.1 1.0 N B:GLU87 3.8 36.7 1.0 N B:LEU86 3.8 35.8 1.0 O1 B:GOL403 4.0 48.5 1.0 HD2 B:PRO85 4.0 56.3 1.0 CA B:LEU86 4.0 35.3 1.0 CA B:GLU87 4.1 37.7 1.0 HB3 B:LEU86 4.2 44.2 1.0 H B:GLY88 4.2 39.4 1.0 HA B:ASP84 4.3 51.6 1.0 OE1 B:GLU57 4.3 62.0 1.0 H B:GLU87 4.4 44.0 1.0 CG2 B:THR89 4.4 45.4 1.0 HG21 B:THR89 4.4 54.5 1.0 OD1 B:ASP33 4.5 54.4 1.0 CB B:ASP84 4.5 40.9 1.0 O B:HOH591 4.6 59.9 1.0 HG22 B:THR89 4.6 54.5 1.0 CB B:LEU86 4.7 36.8 1.0 C B:ASP84 4.7 44.1 1.0 CA B:ASP84 4.7 43.0 1.0 HB2 B:GLU87 4.7 42.8 1.0 N B:PRO85 4.8 45.3 1.0 CD B:PRO85 4.8 46.9 1.0 N B:GLY88 4.8 32.8 1.0 HA B:LEU86 4.9 42.4 1.0 H12 B:GOL403 5.0 72.7 1.0 HG B:LEU86 5.0 43.9 1.0

Manganese binding site 3 out of 4 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn605 b:64.5 occ:1.00 O C:HOH865 2.2 44.1 1.0 O C:HOH760 2.3 33.3 1.0 OD1 C:ASP84 2.3 34.8 1.0 O C:LEU86 2.4 24.9 1.0 O C:HOH849 2.8 35.8 1.0 O C:HOH713 3.2 29.0 1.0 C C:LEU86 3.3 24.1 1.0 CG C:ASP84 3.3 29.9 1.0 H C:LEU86 3.4 32.0 1.0 HA C:GLU87 3.4 32.3 1.0 OD2 C:ASP84 3.6 30.0 1.0 HG23 C:THR89 3.6 38.3 1.0 N C:GLU87 3.9 27.4 1.0 O C:HOH818 4.0 31.1 1.0 HD2 C:PRO85 4.0 45.5 1.0 CA C:GLU87 4.1 26.9 1.0 N C:LEU86 4.1 26.6 1.0 CA C:LEU86 4.3 29.1 1.0 H C:GLY88 4.3 28.3 1.0 HB3 C:LEU86 4.4 29.4 1.0 HA C:ASP84 4.4 34.4 1.0 CG2 C:THR89 4.4 31.9 1.0 HG21 C:THR89 4.5 38.3 1.0 OE1 C:GLU57 4.5 40.5 1.0 O C:HOH718 4.6 36.1 1.0 H C:GLU87 4.6 32.8 1.0 CB C:ASP84 4.7 29.4 1.0 HG22 C:THR89 4.7 38.3 1.0 OD1 C:ASP33 4.7 42.4 1.0 HB2 C:GLU87 4.7 34.1 1.0 CD C:PRO85 4.9 37.9 1.0 CB C:LEU86 4.9 24.5 1.0 H C:THR89 4.9 29.0 1.0 CA C:ASP84 4.9 28.7 1.0 N C:GLY88 4.9 23.6 1.0 C C:ASP84 5.0 35.1 1.0 OE2 C:GLU214 5.0 31.9 1.0 N C:PRO85 5.0 29.3 1.0

Manganese binding site 4 out of 4 in the Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of the Class II Fructose-1,6-Bisphophatase From Francisella Tularensis Complexed with Native Metal Cofactor Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn406 b:117.7 occ:1.00 O D:HOH615 2.2 93.1 1.0 O D:HOH512 2.2 94.1 1.0 O D:HOH637 2.2 91.5 1.0 OD1 D:ASP84 2.8 47.1 1.0 O D:LEU86 3.3 38.9 1.0 HD2 D:PRO85 3.7 60.5 1.0 CG D:ASP84 3.7 50.1 1.0 O D:HOH506 3.8 37.9 1.0 H D:LEU86 3.9 44.5 1.0 HG23 D:THR89 4.0 56.6 1.0 O D:HOH618 4.1 44.1 1.0 OD2 D:ASP84 4.1 42.4 1.0 C D:LEU86 4.2 35.8 1.0 HA D:ASP84 4.2 55.6 1.0 HA D:GLU87 4.4 51.2 1.0 HG21 D:THR89 4.4 56.6 1.0 OD1 D:ASP33 4.5 52.5 1.0 CD D:PRO85 4.6 50.4 1.0 CG2 D:THR89 4.7 47.2 1.0 N D:LEU86 4.7 37.1 1.0 OE2 D:GLU57 4.7 80.6 1.0 OE1 D:GLU57 4.7 87.0 1.0 HB3 D:LEU86 4.9 41.9 1.0 H D:GLY88 4.9 40.4 1.0 N D:GLU87 4.9 40.0 1.0 CB D:ASP84 4.9 35.9 1.0 CA D:ASP84 4.9 46.4 1.0 HG22 D:THR89 5.0 56.6 1.0 HD3 D:PRO85 5.0 60.5 1.0

A.I.Selezneva, L.N.M.Harding, H.J.Gutka, F.Movahedzadeh, C.Abad-Zapatero. New Structures of Class II Fructose-1,6-Bisphosphatase From Francisella Tularensis Provide A Framework For A Novel Catalytic Mechanism For the Entire Class Plos One 2023.
ISSN: ESSN 1932-6203