Magnesium in PDB 3mel: Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150

The structure of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150, PDB code: 3mel was solved by A.Kuzin, M.Abasidze, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, M.Maglaqui, L.Zhao, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.53 / 2.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.286, 102.112, 94.277, 90.00, 98.13, 90.00
R / Rfree (%)	20.8 / 27.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 (pdb code 3mel). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 11 binding sites of Magnesium where determined in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150, PDB code: 3mel:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


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 Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg223 b:61.7 occ:1.00 O2A A:TPP902 2.5 0.4 1.0 OD2 A:ASP30 2.6 52.4 1.0 OD1 A:ASP49 2.8 50.5 1.0 OD1 A:ASP51 3.0 50.7 1.0 OD2 A:ASP79 3.3 45.3 1.0 OD2 A:ASP49 3.4 52.6 1.0 CG A:ASP49 3.5 45.5 1.0 CG A:ASP30 3.7 43.9 1.0 CG A:ASP51 3.8 58.5 1.0 PA A:TPP902 3.8 0.3 1.0 OD2 A:ASP51 4.0 57.4 1.0 OD1 A:ASP30 4.1 43.3 1.0 CG A:ASP79 4.2 47.5 1.0 O1A A:TPP902 4.6 0.6 1.0 O3A A:TPP902 4.6 97.2 1.0 OD1 A:ASP79 4.7 41.1 1.0 O7 A:TPP902 4.8 95.1 1.0 O2B A:TPP902 4.9 82.8 1.0 N A:ASP51 4.9 38.4 1.0 CB A:ASP30 4.9 39.4 1.0 CB A:ASP49 4.9 36.6 1.0 N A:PHE50 5.0 39.3 1.0

Magnesium binding site 2 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


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 Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg224 b:33.4 occ:1.00 OG1 A:THR168 3.7 43.6 1.0 CG2 A:THR168 3.8 44.2 1.0 CB A:THR168 3.9 41.0 1.0 MG A:MG225 4.1 63.1 1.0 OG A:SER200 4.5 51.7 1.0

Magnesium binding site 3 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg225 b:63.1 occ:1.00 ND2 A:ASN166 3.3 56.3 1.0 OG A:SER200 3.3 51.7 1.0 CB A:SER200 3.6 44.6 1.0 O A:ASN166 3.6 45.8 1.0 OG1 A:THR168 3.8 43.6 1.0 C A:SER200 3.9 41.8 1.0 O A:SER200 4.0 43.1 1.0 CG A:ASN166 4.0 49.9 1.0 N A:PHE201 4.0 39.9 1.0 MG A:MG224 4.1 33.4 1.0 CB A:THR168 4.2 41.0 1.0 CA A:SER200 4.3 41.2 1.0 OD1 A:ASP202 4.4 53.5 1.0 CA A:PHE201 4.4 38.3 1.0 OD1 A:ASN166 4.4 49.1 1.0 N A:THR168 4.6 40.4 1.0 C A:ASN166 4.7 43.0 1.0 CB A:ASN166 4.9 41.0 1.0 C A:PHE201 5.0 43.5 1.0

Magnesium binding site 4 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg226 b:40.0 occ:1.00 OD2 A:ASP76 3.6 51.6 1.0 N A:ASP76 4.0 37.0 1.0 CB A:ASP76 4.1 39.9 1.0 CG A:ASP76 4.1 50.9 1.0 CB A:LYS75 4.6 33.2 1.0 CA A:ASP76 4.6 37.7 1.0 CA A:LYS75 4.8 35.8 1.0 C A:LYS75 4.9 36.2 1.0 N A:ASP77 5.0 39.3 1.0

Magnesium binding site 5 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg224 b:50.2 occ:1.00 OD1 B:ASP49 2.6 51.4 1.0 OD2 B:ASP30 2.9 53.4 1.0 OD1 B:ASP51 3.1 61.3 1.0 OD2 B:ASP79 3.2 49.1 1.0 OD2 B:ASP49 3.2 57.7 1.0 CG B:ASP49 3.3 54.9 1.0 CG B:ASP51 4.0 61.7 1.0 O4 B:PO4223 4.0 52.9 1.0 CG B:ASP30 4.1 43.9 1.0 CG B:ASP79 4.2 51.1 1.0 OD2 B:ASP51 4.4 68.1 1.0 OD1 B:ASP79 4.6 52.3 1.0 OD1 B:ASP30 4.7 41.8 1.0 CB B:ASP49 4.8 53.0 1.0 N B:ASP51 4.9 54.1 1.0

Magnesium binding site 6 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg225 b:47.7 occ:1.00 O B:PHE50 3.0 48.6 1.0 CB B:TYR58 3.3 38.9 1.0 O B:LEU53 3.4 37.4 1.0 CD1 B:TYR58 3.5 45.4 1.0 CG B:TYR58 3.5 42.5 1.0 C B:PHE50 3.9 50.1 1.0 CB B:PHE50 4.0 47.6 1.0 C B:LEU53 4.2 40.7 1.0 O B:SER54 4.4 47.1 1.0 CE1 B:TYR58 4.4 47.3 1.0 CB B:LEU53 4.4 46.2 1.0 CD2 B:TYR58 4.5 52.4 1.0 CG B:LEU53 4.5 44.6 1.0 CA B:LEU53 4.6 45.2 1.0 CA B:TYR58 4.7 41.6 1.0 N B:LEU53 4.7 46.1 1.0 CA B:PHE50 4.7 46.9 1.0 C B:SER54 4.8 44.3 1.0 N B:ASP51 4.8 54.1 1.0 CA B:ASP51 4.9 53.1 1.0

Magnesium binding site 7 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg226 b:48.2 occ:1.00 OD2 B:ASP24 4.5 43.9 1.0 CA B:THR22 4.5 44.5 1.0 O B:ALA21 4.6 46.4 1.0 OD1 B:ASP24 4.6 44.7 1.0 O B:THR22 4.6 44.7 1.0 C B:THR22 4.7 45.0 1.0 CG B:ASP24 5.0 46.3 1.0

Magnesium binding site 8 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg224 b:43.4 occ:1.00 OD2 C:ASP30 2.8 54.0 1.0 OD1 C:ASP49 3.0 43.6 1.0 OD2 C:ASP79 3.2 44.3 1.0 OD2 C:ASP49 3.4 50.1 1.0 CG C:ASP49 3.6 46.8 1.0 CG C:ASP30 3.9 47.9 1.0 CG C:ASP79 3.9 49.8 1.0 OD1 C:ASP51 4.0 57.0 1.0 O C:HOH227 4.0 50.2 1.0 O1 C:PO4223 4.2 53.3 1.0 OD1 C:ASP79 4.4 49.3 1.0 OD1 C:ASP30 4.4 43.6 1.0 O C:HOH226 4.6 34.9 1.0 OG C:SER52 4.6 47.1 1.0 CB C:ASP79 4.8 51.4 1.0 CB C:ASP30 5.0 42.3 1.0

Magnesium binding site 9 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg225 b:25.1 occ:1.00 O C:ASP51 3.4 50.5 1.0 C C:ASP51 4.6 44.0 1.0

Magnesium binding site 10 out of 11 in the Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Thiamin Pyrophosphokinase Family Protein From Enterococcus Faecalis, Northeast Structural Genomics Consortium Target EFR150 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg223 b:61.4 occ:1.00 O2A D:TPP902 2.4 0.4 1.0 OD2 D:ASP30 2.5 60.2 1.0 OD1 D:ASP49 2.6 52.2 1.0 OD2 D:ASP79 2.8 57.3 1.0 OD2 D:ASP49 3.3 50.9 1.0 CG D:ASP49 3.3 48.8 1.0 OD1 D:ASP51 3.4 51.1 1.0 CG D:ASP30 3.5 50.4 1.0 PA D:TPP902 3.8 0.3 1.0 CG D:ASP79 3.8 56.3 1.0 OD1 D:ASP30 4.0 48.3 1.0 CG D:ASP51 4.2 55.9 1.0 OD2 D:ASP51 4.4 60.0 1.0 OD1 D:ASP79 4.5 51.0 1.0 CB D:ASP30 4.5 46.6 1.0 O3A D:TPP902 4.6 0.2 1.0 O7 D:TPP902 4.6 0.1 1.0 O1A D:TPP902 4.7 0.7 1.0 CB D:ASP79 4.7 54.0 1.0 O2B D:TPP902 4.7 93.2 1.0 CB D:ASP49 4.8 43.4 1.0 N D:ASP49 4.8 44.7 1.0 N D:PHE50 5.0 40.3 1.0

A.Kuzin, M.Abasidze, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, M.Maglaqui, L.Zhao, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target EFR150 To Be Published.