Calcium in PDB 2raq: Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205

The structure of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205, PDB code: 2raq was solved by F.Forouhar, M.Su, X.Xu, J.Seetharaman, L.Mao, R.Xiao, L.-C.Ma, K.Conover, M.C.Baran, T.B.Acton, G.T.Montelione, C.H.Arrowsmith, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.58 / 3.11
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.569, 113.569, 114.530, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 28

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 (pdb code 2raq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 14 binding sites of Calcium where determined in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205, PDB code: 2raq:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca98 b:46.8 occ:1.00 OD2 A:ASP45 2.6 59.9 1.0 OE2 A:GLU43 3.1 56.7 1.0 CD A:GLU43 3.2 53.2 1.0 OE1 A:GLU43 3.4 55.9 1.0 CG A:ASP45 3.8 58.2 1.0 CG A:GLU43 3.9 50.5 1.0 OD1 A:ASP45 4.3 60.3 1.0 CB A:ASP45 5.0 56.5 1.0

Calcium binding site 2 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca99 b:48.6 occ:1.00 OG A:SER78 2.7 43.1 1.0 OD1 A:ASP12 2.7 47.5 1.0 CG A:ASP12 3.6 45.5 1.0 CB A:SER78 3.7 43.6 1.0 OD2 A:ASP12 3.7 47.2 1.0 OD1 A:ASP80 4.2 42.2 1.0 N A:SER78 4.6 44.2 1.0 CB A:HIS77 4.7 46.4 1.0 CA A:SER78 4.7 43.8 1.0 CB A:ASP12 4.9 43.9 1.0 C A:HIS77 4.9 45.2 1.0 CG2 G:ILE44 5.0 61.2 1.0

Calcium binding site 3 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca100 b:75.0 occ:1.00 OE2 A:GLU91 2.3 57.7 1.0 O B:THR93 3.1 59.8 1.0 O A:HOH103 3.4 27.3 1.0 CD A:GLU91 3.5 57.6 1.0 CB A:GLU91 3.9 57.1 1.0 OE1 A:GLU81 4.0 48.7 1.0 C B:THR93 4.1 58.9 1.0 OG1 B:THR93 4.2 58.7 1.0 OE1 A:GLU91 4.2 56.7 1.0 CG A:GLU91 4.3 58.1 1.0 CG2 G:THR40 4.5 39.7 1.0 N B:THR94 4.8 59.7 1.0 CA B:THR94 4.8 60.3 1.0 O A:GLU91 5.0 58.1 1.0

Calcium binding site 4 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:70.0 occ:1.00 OE2 G:GLU91 2.6 66.5 1.0 O A:THR93 2.7 63.8 1.0 CD G:GLU91 3.7 63.4 1.0 CB G:GLU91 3.8 60.6 1.0 C A:THR93 3.9 63.8 1.0 CG G:GLU91 4.3 61.4 1.0 CA A:THR94 4.5 65.0 1.0 OE1 G:GLU81 4.6 51.9 1.0 N A:THR94 4.7 64.5 1.0 OE1 G:GLU91 4.7 64.2 1.0

Calcium binding site 5 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca98 b:37.9 occ:1.00 OD1 B:ASP12 2.6 49.0 1.0 OG B:SER78 2.7 47.8 1.0 CG B:ASP12 3.4 48.1 1.0 OD2 B:ASP12 3.4 49.1 1.0 CB B:SER78 3.8 49.1 1.0 OD1 B:ASP80 4.1 51.4 1.0 OD2 B:ASP80 4.4 52.3 1.0 N B:SER78 4.7 49.8 1.0 CG B:ASP80 4.7 51.3 1.0 CA B:SER78 4.8 49.2 1.0 CB B:ASP12 4.8 46.0 1.0 CB B:HIS77 4.9 51.7 1.0

Calcium binding site 6 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca99 b:48.2 occ:1.00 OD2 B:ASP45 2.3 67.9 1.0 OE2 B:GLU43 2.8 58.4 1.0 CD B:GLU43 2.9 55.9 1.0 OE1 B:GLU43 3.0 55.2 1.0 CG B:ASP45 3.5 65.1 1.0 CG B:GLU43 3.7 55.3 1.0 OD1 B:ASP45 4.1 67.0 1.0 CB B:ASP45 4.7 62.6 1.0

Calcium binding site 7 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca100 b:70.8 occ:1.00 OE2 B:GLU91 2.3 57.3 1.0 O C:THR93 2.8 56.7 1.0 CD B:GLU91 3.3 54.2 1.0 C C:THR93 3.7 56.7 1.0 CG2 A:THR40 3.9 40.2 1.0 CB B:GLU91 3.9 50.1 1.0 OE1 B:GLU81 4.0 56.2 1.0 OE1 B:GLU91 4.1 56.9 1.0 CG B:GLU91 4.2 50.1 1.0 CA C:THR94 4.2 57.3 1.0 N C:THR94 4.4 57.1 1.0 CB C:THR94 4.4 57.4 1.0 CB A:THR40 4.6 40.0 1.0 OG1 C:THR93 4.7 57.6 1.0 CA C:THR93 4.7 56.8 1.0 N C:THR93 4.8 56.2 1.0 OG1 A:THR40 4.8 40.5 1.0

Calcium binding site 8 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca98 b:82.0 occ:1.00 O D:THR93 2.5 63.8 1.0 OE2 C:GLU91 2.9 63.1 1.0 C D:THR93 3.7 63.1 1.0 CB C:GLU91 3.8 53.8 1.0 CD C:GLU91 4.0 61.2 1.0 CG2 B:THR40 4.2 48.2 1.0 OE1 C:GLU81 4.2 63.0 1.0 CA D:THR94 4.3 66.3 1.0 N D:THR94 4.4 64.7 1.0 CG C:GLU91 4.5 56.8 1.0 CB D:THR94 4.5 66.6 1.0 OG1 B:THR40 4.6 48.1 1.0 CB B:THR40 4.7 47.8 1.0 N D:THR93 4.9 60.2 1.0 CA D:THR93 4.9 61.4 1.0 OG1 D:THR93 5.0 59.1 1.0

Calcium binding site 9 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca98 b:78.0 occ:1.00 OE2 D:GLU91 2.4 59.8 1.0 O E:THR93 2.5 62.6 1.0 CD D:GLU91 3.6 57.9 1.0 C E:THR93 3.7 62.9 1.0 CB D:GLU91 4.2 57.3 1.0 CA E:THR94 4.2 64.5 1.0 OE1 D:GLU81 4.3 60.9 1.0 N E:THR94 4.3 63.6 1.0 OE1 D:GLU91 4.4 56.1 1.0 CG D:GLU91 4.5 57.4 1.0 CA E:THR93 4.9 62.5 1.0 OG1 E:THR93 4.9 63.0 1.0 CB E:THR94 5.0 64.8 1.0

Calcium binding site 10 out of 14 in the Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. Northeast Structural Genomics Consortium Target TT205 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca98 b:53.8 occ:1.00 OD1 E:ASP12 2.6 52.0 1.0 OG E:SER78 2.9 57.2 1.0 CG E:ASP12 3.6 51.0 1.0 CB E:SER78 3.7 55.1 1.0 OD2 E:ASP12 3.9 50.9 1.0 OD1 E:ASP80 4.4 58.8 1.0 CB E:HIS77 4.5 54.7 1.0 O E:HIS77 4.6 53.9 1.0 N E:SER78 4.6 54.0 1.0 C E:HIS77 4.6 53.7 1.0 CA E:SER78 4.7 54.4 1.0 CB E:ASP12 4.9 49.8 1.0

F.Forouhar, M.Su, X.Xu, J.Seetharaman, L.Mao, R.Xiao, L.-C.Ma, K.Conover, M.C.Baran, T.B.Acton, G.T.Montelione, C.H.Arrowsmith, J.F.Hunt, L.Tong. Crystal Structure of the MTH889 Protein From Methanothermobacter Thermautotrophicus. To Be Published.