Calcium in PDB 2o18: Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559

The structure of Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559, PDB code: 2o18 was solved by J.Seetharaman, M.Su, D.Wang, Y.Fang, K.Cunningham, L.Ma, R.Xiao, J.Liu, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, 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)	49.74 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.320, 70.653, 86.637, 75.76, 71.67, 69.46
R / Rfree (%)	23.3 / 28.4

The binding sites of Calcium atom in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559 (pdb code 2o18). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559, PDB code: 2o18:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559


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 A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca341 b:23.4 occ:1.00 O A:THR166 2.6 15.5 1.0 OG1 A:THR284 2.6 19.1 1.0 O A:ASP280 2.6 10.8 1.0 OD1 A:ASP280 2.7 9.5 1.0 OD1 A:ASP283 2.8 18.9 1.0 O A:HOH393 2.8 23.5 1.0 CG A:ASP280 3.5 12.5 1.0 CB A:THR284 3.5 17.3 1.0 C A:THR166 3.6 14.6 1.0 C A:ASP280 3.7 10.3 1.0 CG A:ASP283 3.8 18.4 1.0 OD2 A:ASP283 4.0 18.0 1.0 OD2 A:ASP280 4.1 13.8 1.0 CA A:THR166 4.1 12.0 1.0 CA A:ASP280 4.1 11.2 1.0 CB A:THR166 4.1 11.7 1.0 N A:THR284 4.1 14.7 1.0 CB A:ASP280 4.3 13.2 1.0 CA A:THR284 4.3 15.2 1.0 OG A:SER236 4.4 26.2 1.0 O A:HOH361 4.5 23.4 1.0 OG1 A:THR166 4.7 9.3 1.0 CG2 A:THR284 4.7 15.8 1.0 OG A:SER234 4.7 7.9 1.0 CB A:SER236 4.7 25.9 1.0 N A:VAL167 4.8 15.0 1.0 N A:ALA281 4.8 13.0 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559


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 A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca341 b:24.1 occ:1.00 O B:THR166 2.6 16.5 1.0 O B:ASP280 2.8 18.6 1.0 OD1 B:ASP280 2.8 24.0 1.0 O B:HOH388 2.8 27.2 1.0 CG2 B:THR284 3.1 23.5 1.0 CG B:ASP280 3.3 19.9 1.0 OD2 B:ASP283 3.6 30.6 1.0 C B:THR166 3.6 17.0 1.0 C B:ASP280 3.6 17.3 1.0 OG1 B:THR284 3.7 25.0 1.0 OD2 B:ASP280 3.7 21.6 1.0 CA B:ASP280 3.9 15.2 1.0 CB B:THR284 4.0 23.2 1.0 CB B:ASP280 4.1 16.7 1.0 N B:THR284 4.1 21.9 1.0 CA B:THR166 4.1 16.2 1.0 CB B:ASP283 4.1 27.1 1.0 CB B:THR166 4.2 17.3 1.0 OG B:SER234 4.2 24.6 1.0 CG B:ASP283 4.3 29.5 1.0 CA B:THR284 4.6 23.5 1.0 O B:HOH346 4.6 24.1 1.0 OG B:SER236 4.7 40.9 1.0 N B:VAL167 4.8 16.2 1.0 N B:ALA281 4.8 19.4 1.0 C B:ASP283 5.0 23.0 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559


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 A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca341 b:13.8 occ:1.00 OG1 C:THR284 2.5 21.5 1.0 O C:THR166 2.6 15.6 1.0 O C:ASP280 2.8 18.1 1.0 OD1 C:ASP280 2.8 19.4 1.0 OD1 C:ASP283 3.3 26.5 1.0 CG C:ASP280 3.4 19.6 1.0 C C:THR166 3.7 15.2 1.0 C C:ASP280 3.7 16.3 1.0 CB C:THR284 3.8 17.5 1.0 OD2 C:ASP280 3.9 20.3 1.0 CA C:ASP280 4.1 17.7 1.0 CG C:ASP283 4.1 22.9 1.0 N C:THR284 4.1 15.5 1.0 CA C:THR166 4.2 15.7 1.0 CB C:THR166 4.2 15.8 1.0 CB C:ASP280 4.2 17.5 1.0 OD2 C:ASP283 4.3 25.1 1.0 OG C:SER236 4.3 34.1 1.0 CA C:THR284 4.3 16.6 1.0 O C:HOH381 4.3 13.8 1.0 OG C:SER234 4.7 20.5 1.0 N C:VAL167 4.8 12.9 1.0 N C:ALA281 4.9 15.6 1.0 CG2 C:THR284 4.9 18.9 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559


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 A Thiamine Biosynthesis Lipoprotein Apbe, Northeast Strcutural Genomics Target ER559 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca341 b:20.3 occ:1.00 OG1 D:THR284 2.6 21.5 1.0 OD1 D:ASP280 2.6 21.1 1.0 O D:THR166 2.7 16.9 1.0 O D:ASP280 2.9 17.4 1.0 OD1 D:ASP283 3.0 18.8 1.0 O D:HOH397 3.1 19.4 1.0 CG D:ASP280 3.6 18.9 1.0 C D:THR166 3.7 15.4 1.0 CG D:ASP283 3.8 17.9 1.0 OD2 D:ASP283 3.9 18.7 1.0 CB D:THR284 3.9 21.4 1.0 CA D:THR166 4.0 14.8 1.0 C D:ASP280 4.0 16.2 1.0 CB D:THR166 4.1 13.2 1.0 OD2 D:ASP280 4.2 20.7 1.0 OG D:SER236 4.3 29.3 1.0 CB D:SER236 4.3 27.9 1.0 N D:THR284 4.3 18.1 1.0 CA D:ASP280 4.4 17.9 1.0 CA D:THR284 4.5 19.1 1.0 CB D:ASP280 4.6 19.1 1.0 O D:HOH366 4.6 20.4 1.0 OG D:SER234 4.7 18.9 1.0 CG2 D:THR166 4.8 12.8 1.0 O D:THR235 4.9 26.6 1.0 N D:VAL167 4.9 16.7 1.0

J.Seetharaman, M.Su, D.Wang, Y.Fang, K.Cunningham, L.Ma, R.Xiao, J.Liu, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Crystal Structure of A Thiamine Biosynthesis Lipoprotein Apbe To Be Published.