Manganese in PDB 3tmy: Chey From Thermotoga Maritima (Mn-III)

The structure of Chey From Thermotoga Maritima (Mn-III), PDB code: 3tmy was solved by K.C.Usher, A.De La Cruz, F.W.Dahlquist, S.J.Remington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	109.658, 64.719, 33.810, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / n/a

The binding sites of Manganese atom in the Chey From Thermotoga Maritima (Mn-III) (pdb code 3tmy). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Chey From Thermotoga Maritima (Mn-III), PDB code: 3tmy:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Chey From Thermotoga Maritima (Mn-III)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Chey From Thermotoga Maritima (Mn-III) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn125 b:21.2 occ:1.00 O A:HOH201 2.1 19.5 1.0 OD1 A:ASP10 2.1 22.4 1.0 OD2 A:ASP54 2.2 10.7 1.0 O A:THR56 2.2 21.9 1.0 O A:HOH202 2.3 32.7 1.0 O A:HOH200 2.5 23.0 1.0 CG A:ASP10 2.9 31.7 1.0 OD2 A:ASP10 3.1 27.6 1.0 CG A:ASP54 3.4 6.3 1.0 C A:THR56 3.4 26.3 1.0 OD1 A:ASP54 3.9 11.6 1.0 OD1 A:ASP9 4.1 22.8 1.0 CG A:MET57 4.2 14.7 1.0 CA A:THR56 4.3 7.1 1.0 O A:HOH203 4.4 33.8 1.0 CB A:THR56 4.4 36.5 1.0 N A:MET57 4.4 23.9 1.0 CB A:ASP10 4.4 23.5 1.0 CB A:ASP54 4.5 8.9 1.0 N A:THR56 4.5 17.1 1.0 N A:ASP10 4.5 20.7 1.0 CA A:MET57 4.6 13.6 1.0 CG A:ASP9 4.6 15.9 1.0 NZ A:LYS104 4.7 13.9 1.0 CG2 A:THR56 4.9 22.2 1.0 OD2 A:ASP9 5.0 3.6 1.0 CA A:ASP10 5.0 33.9 1.0

Manganese binding site 2 out of 2 in the Chey From Thermotoga Maritima (Mn-III)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Chey From Thermotoga Maritima (Mn-III) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn125 b:21.4 occ:1.00 OD2 B:ASP54 2.2 9.0 1.0 O B:THR56 2.2 14.7 1.0 OD1 B:ASP10 2.3 17.8 1.0 O B:HOH200 2.3 20.7 1.0 O B:HOH202 2.4 49.7 1.0 O B:HOH201 2.4 31.3 1.0 CG B:ASP54 3.1 27.6 1.0 CG B:ASP10 3.2 7.5 1.0 C B:THR56 3.3 17.1 1.0 OD1 B:ASP54 3.4 17.4 1.0 OD2 B:ASP10 3.5 26.1 1.0 CA B:THR56 4.1 13.9 1.0 CB B:THR56 4.1 26.0 1.0 OD1 B:ASP9 4.2 11.2 1.0 CG B:MET57 4.2 13.6 1.0 O B:HOH203 4.2 22.3 1.0 NZ B:LYS104 4.2 22.4 1.0 N B:MET57 4.3 13.6 1.0 N B:THR56 4.4 11.9 1.0 CB B:ASP54 4.5 11.1 1.0 CA B:MET57 4.5 10.2 1.0 CG2 B:THR56 4.6 40.2 1.0 CB B:ASP10 4.6 3.6 1.0 N B:ASP10 4.7 7.2 1.0 CB B:MET57 4.9 14.8 1.0 CG B:ASP9 5.0 1.0 1.0

K.C.Usher, A.F.De La Cruz, F.W.Dahlquist, R.V.Swanson, M.I.Simon, S.J.Remington. Crystal Structures of Chey From Thermotoga Maritima Do Not Support Conventional Explanations For the Structural Basis of Enhanced Thermostability. Protein Sci. V. 7 403 1998.
ISSN: ISSN 0961-8368
PubMed: 9521117