Manganese in PDB 3oo0: Structure of Apo Chey A113P

The structure of Structure of Apo Chey A113P, PDB code: 3oo0 was solved by Y.Pazy, E.J.Collins, G.P.Guanga, P.J.Miller, R.M.Immormino, R.E.Silversmith, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.23 / 1.55
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.660, 53.660, 186.655, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 19.9

The binding sites of Manganese atom in the Structure of Apo Chey A113P (pdb code 3oo0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Apo Chey A113P, PDB code: 3oo0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Apo Chey A113P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Apo Chey A113P within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn134 b:23.0 occ:0.75 OD2 A:ASP57 2.0 18.8 0.5 O A:HOH178 2.3 26.1 0.6 O1 A:SO4401 2.3 17.6 0.4 O A:HOH194 2.3 29.6 1.0 O A:ASN59 2.3 23.2 1.0 OD2 A:ASP57 2.4 32.3 0.5 OD1 A:ASP13 2.4 22.1 1.0 CG A:ASP57 2.9 21.1 0.5 O1 A:SO4401 3.1 34.0 0.2 O3 A:SO4401 3.1 39.4 0.2 O1 A:SO4401 3.3 41.0 0.3 OD1 A:ASP57 3.3 20.3 0.5 CG A:ASP57 3.4 25.0 0.5 CG A:ASP13 3.5 20.7 1.0 C A:ASN59 3.5 21.8 1.0 S A:SO4401 3.6 22.2 0.4 S A:SO4401 3.7 40.6 0.2 OD1 A:ASP12 3.8 24.1 1.0 OD2 A:ASP13 3.8 23.4 1.0 O A:HOH206 4.0 44.4 1.0 O2 A:SO4401 4.1 22.0 0.4 CA A:ASN59 4.2 20.5 1.0 CB A:ASP57 4.2 20.3 0.5 O3 A:SO4401 4.2 24.9 0.4 O A:HOH164 4.2 41.7 1.0 N A:ASN59 4.2 21.8 1.0 CB A:ASN59 4.2 23.6 1.0 CB A:ASP57 4.3 20.2 0.5 CG A:MET60 4.3 16.2 1.0 OD1 A:ASP57 4.3 22.5 0.5 NZ A:LYS109 4.3 32.0 0.6 CD1 A:PHE14 4.3 22.0 1.0 CG A:ASP12 4.4 24.1 1.0 O4 A:SO4401 4.5 24.9 0.2 N A:ASP13 4.5 16.6 1.0 S A:SO4401 4.5 43.6 0.3 N A:MET60 4.6 20.3 1.0 OD2 A:ASP12 4.6 22.6 1.0 NZ A:LYS109 4.6 21.5 0.4 O2 A:SO4401 4.7 38.9 0.3 O4 A:SO4401 4.7 31.8 0.4 CE1 A:PHE14 4.7 25.8 1.0 CB A:ASP13 4.8 18.1 1.0 O2 A:SO4401 4.8 39.5 0.2 CA A:MET60 4.8 18.3 1.0

Manganese binding site 2 out of 2 in the Structure of Apo Chey A113P


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Apo Chey A113P within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn133 b:24.4 occ:0.82 OD2 B:ASP57 2.0 23.0 1.0 O B:HOH154 2.2 25.5 1.0 O1 B:SO4402 2.2 20.9 0.7 O B:HOH179 2.3 29.1 1.0 O B:ASN59 2.3 25.2 1.0 OD1 B:ASP13 2.3 25.4 1.0 CG B:ASP57 3.0 30.7 1.0 CG B:ASP13 3.3 24.5 1.0 OD1 B:ASP57 3.4 27.0 1.0 C B:ASN59 3.5 24.3 1.0 S B:SO4402 3.5 24.6 0.7 OD2 B:ASP13 3.7 27.2 1.0 OD1 B:ASP12 3.9 23.8 1.0 O4 B:SO4402 4.1 22.4 0.7 O3 B:SO4402 4.1 22.0 0.7 CA B:ASN59 4.1 24.0 1.0 N B:ASN59 4.2 24.5 1.0 CB B:ASN59 4.2 25.4 1.0 O B:HOH212 4.3 45.1 1.0 NZ B:LYS109 4.3 28.6 1.0 CB B:ASP57 4.3 22.2 1.0 CG B:MET60 4.3 18.3 1.0 CD2 B:PHE14 4.4 31.6 1.0 N B:ASP13 4.5 21.1 1.0 O2 B:SO4402 4.5 29.3 0.7 CG B:ASP12 4.5 23.3 1.0 N B:MET60 4.5 23.9 1.0 OD2 B:ASP12 4.6 22.4 1.0 CB B:ASP13 4.7 21.5 1.0 CE2 B:PHE14 4.8 30.8 1.0 CA B:MET60 4.8 23.0 1.0

Y.Pazy, R.M.Immormino, R.E.Silversmith, R.B.Bourret. Exploring the Effect of An Allosteric Site on Conformational Coupling in Chey To Be Published.