Calcium in PDB 2i44: Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii

The structure of Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii, PDB code: 2i44 was solved by S.Eswaramoorthy, S.K.Burley, S.Swamianthan, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.04
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.400, 192.960, 61.440, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24.4

The binding sites of Calcium atom in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii (pdb code 2i44). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii, PDB code: 2i44:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:26.9 occ:1.00 O A:HOH408 1.9 28.3 1.0 O A:HOH405 2.1 18.5 1.0 OD2 A:ASP67 2.2 15.3 1.0 OD2 A:ASP318 2.3 17.0 1.0 O A:HOH403 2.3 15.9 1.0 OD1 A:ASP273 2.3 19.2 1.0 CG A:ASP67 3.0 14.1 1.0 OD1 A:ASP67 3.1 13.2 1.0 CG A:ASP273 3.3 18.9 1.0 CG A:ASP318 3.3 16.4 1.0 CA A:CA402 3.5 24.6 1.0 OD2 A:ASP273 3.6 23.3 1.0 O A:HOH407 3.6 22.6 1.0 OD1 A:ASP318 3.6 15.0 1.0 O A:HOH487 4.0 21.2 1.0 O A:HOH404 4.2 14.5 1.0 O A:HOH410 4.3 8.3 1.0 N A:GLY274 4.3 16.6 1.0 CB A:ASP67 4.5 14.9 1.0 O A:ASN319 4.6 17.9 1.0 OD1 A:ASP45 4.6 20.3 1.0 CB A:ASP318 4.7 15.6 1.0 CB A:ASP273 4.7 18.1 1.0 N A:ASP273 4.7 16.3 1.0 CA A:GLY274 4.9 13.1 1.0 CB A:THR272 4.9 13.6 1.0 C A:ASP273 4.9 15.2 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:24.6 occ:1.00 O A:HOH405 2.1 18.5 1.0 O A:HOH404 2.2 14.5 1.0 O A:GLY68 2.2 18.7 1.0 OD1 A:ASP67 2.2 13.2 1.0 O A:HOH406 2.3 18.6 1.0 O A:HOH407 2.3 22.6 1.0 CG A:ASP67 3.3 14.1 1.0 C A:GLY68 3.4 17.5 1.0 CA A:CA401 3.5 26.9 1.0 OD2 A:ASP67 3.8 15.3 1.0 O A:HOH408 4.0 28.3 1.0 O A:HOH414 4.0 16.6 1.0 N A:GLY68 4.1 13.6 1.0 OE1 A:GLU44 4.2 26.3 1.0 C A:ASP67 4.3 13.8 1.0 N A:THR69 4.3 16.3 1.0 CB A:GLU44 4.3 19.8 1.0 CA A:THR69 4.3 19.4 1.0 CA A:GLY68 4.4 15.7 1.0 O A:HOH403 4.4 15.9 1.0 OD1 A:ASP45 4.4 20.3 1.0 CB A:THR69 4.4 20.6 1.0 ND2 A:ASN319 4.5 10.2 1.0 O A:HOH504 4.5 24.6 1.0 CB A:ASP67 4.6 14.9 1.0 O A:ASP67 4.6 14.7 1.0 CA A:ASP67 4.7 14.2 1.0 OD1 A:ASP318 4.7 15.0 1.0 O A:HOH487 4.9 21.2 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:28.3 occ:1.00 O B:HOH410 1.9 40.7 1.0 O B:HOH409 2.0 33.8 1.0 O B:HOH405 2.1 22.7 1.0 OD2 B:ASP67 2.3 18.4 1.0 OD2 B:ASP318 2.4 25.2 1.0 OD1 B:ASP273 2.5 25.1 1.0 OD1 B:ASP67 2.9 18.3 1.0 CG B:ASP67 2.9 17.6 1.0 CA B:CA404 3.2 37.6 1.0 CG B:ASP318 3.3 23.3 1.0 CG B:ASP273 3.4 25.2 1.0 O B:HOH406 3.5 27.7 1.0 OD1 B:ASP318 3.6 25.9 1.0 OD2 B:ASP273 3.7 31.6 1.0 O B:HOH408 4.1 19.9 1.0 O B:HOH416 4.2 16.0 1.0 O B:HOH418 4.4 14.6 1.0 CB B:ASP67 4.4 17.9 1.0 O B:HOH426 4.4 26.3 1.0 OD1 B:ASP45 4.5 22.1 1.0 N B:GLY274 4.5 24.3 1.0 O B:ASN319 4.5 19.6 1.0 CB B:ASP318 4.7 23.3 1.0 N B:ASP273 4.8 22.8 1.0 CB B:ASP273 4.8 24.6 1.0 CB B:THR272 4.9 23.1 1.0 OG1 B:THR272 4.9 23.7 1.0 C B:ASP273 5.0 23.4 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:37.6 occ:1.00 O B:HOH407 2.2 26.7 1.0 OD1 B:ASP67 2.2 18.3 1.0 O B:HOH410 2.2 40.7 1.0 O B:HOH408 2.3 19.9 1.0 O B:GLY68 2.4 19.9 1.0 O B:HOH406 2.5 27.7 1.0 CA B:CA403 3.2 28.3 1.0 CG B:ASP67 3.3 17.6 1.0 C B:GLY68 3.6 20.4 1.0 OD2 B:ASP67 3.8 18.4 1.0 O B:HOH409 3.9 33.8 1.0 O B:HOH405 4.1 22.7 1.0 N B:GLY68 4.2 19.8 1.0 OD1 B:ASP45 4.2 22.1 1.0 O B:HOH422 4.2 22.8 1.0 ND2 B:ASN319 4.3 21.5 1.0 C B:ASP67 4.3 19.5 1.0 OE1 B:GLU44 4.3 32.0 1.0 CB B:GLU44 4.4 24.5 1.0 O B:HOH440 4.5 29.3 1.0 CA B:GLY68 4.5 20.1 1.0 OD1 B:ASP318 4.5 25.9 1.0 CB B:ASP67 4.6 17.9 1.0 N B:THR69 4.6 20.6 1.0 CA B:THR69 4.6 22.4 1.0 CA B:ASP67 4.7 18.9 1.0 CB B:THR69 4.7 23.4 1.0 O B:ASP67 4.7 18.9 1.0 OD2 B:ASP318 4.9 25.2 1.0 NH1 B:ARG40 4.9 38.5 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca405 b:27.0 occ:1.00 O C:HOH411 1.8 34.2 1.0 OD1 C:ASP273 2.1 21.0 1.0 OD2 C:ASP67 2.2 18.4 1.0 O C:HOH407 2.3 20.0 1.0 O C:HOH410 2.4 23.1 1.0 OD2 C:ASP318 2.5 15.1 1.0 CG C:ASP273 3.0 18.0 1.0 CG C:ASP67 3.0 15.8 1.0 OD1 C:ASP67 3.2 17.0 1.0 OD2 C:ASP273 3.2 21.3 1.0 O C:HOH412 3.4 36.2 1.0 CG C:ASP318 3.5 17.5 1.0 OD1 C:ASP318 3.8 17.7 1.0 CA C:CA406 3.8 27.9 1.0 O C:HOH464 3.9 18.2 1.0 O C:HOH408 4.3 17.7 1.0 N C:GLY274 4.3 12.1 1.0 O C:HOH474 4.4 23.8 1.0 CB C:ASP273 4.4 16.8 1.0 O C:HOH542 4.4 6.9 1.0 CB C:ASP67 4.4 15.3 1.0 N C:ASP273 4.5 14.0 1.0 OD1 C:ASP45 4.7 19.5 1.0 O C:ASN319 4.7 16.0 1.0 C C:ASP273 4.7 13.6 1.0 CA C:ASP273 4.8 12.8 1.0 CB C:THR272 4.8 12.6 1.0 CB C:ASP318 4.8 17.6 1.0 CA C:GLY274 4.9 15.1 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of Serine-Threonine Phosphatase 2C From Toxoplasma Gondii


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 Serine-Threonine Phosphatase 2C From Toxoplasma Gondii within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca406 b:27.9 occ:1.00 O C:HOH408 2.0 17.7 1.0 O C:HOH412 2.1 36.2 1.0 O C:GLY68 2.1 18.2 1.0 O C:HOH410 2.2 23.1 1.0 OD1 C:ASP67 2.3 17.0 1.0 O C:HOH409 2.3 17.2 1.0 C C:GLY68 3.3 19.1 1.0 CG C:ASP67 3.5 15.8 1.0 CA C:CA405 3.8 27.0 1.0 O C:HOH411 3.9 34.2 1.0 N C:GLY68 4.0 16.4 1.0 OD2 C:ASP67 4.1 18.4 1.0 OE1 C:GLU44 4.2 24.9 1.0 N C:THR69 4.2 20.3 1.0 CA C:GLY68 4.3 17.9 1.0 C C:ASP67 4.3 16.2 1.0 CB C:GLU44 4.3 19.5 1.0 CA C:THR69 4.3 23.9 1.0 O C:HOH461 4.3 19.2 1.0 O C:HOH407 4.4 20.0 1.0 OD1 C:ASP45 4.4 19.5 1.0 CB C:THR69 4.4 27.4 1.0 ND2 C:ASN319 4.4 12.8 1.0 CB C:ASP67 4.6 15.3 1.0 O C:ASP67 4.7 15.8 1.0 CA C:ASP67 4.7 16.4 1.0 OD1 C:ASP318 4.9 17.7 1.0

S.C.Almo, J.B.Bonanno, J.M.Sauder, S.Emtage, T.P.Dilorenzo, V.Malashkevich, S.R.Wasserman, S.Swaminathan, S.Eswaramoorthy, R.Agarwal, D.Kumaran, M.Madegowda, S.Ragumani, Y.Patskovsky, J.Alvarado, U.A.Ramagopal, J.Faber-Barata, M.R.Chance, A.Sali, A.Fiser, Z.Y.Zhang, D.S.Lawrence, S.K.Burley. Structural Genomics of Protein Phosphatases. J.Struct.Funct.Genom. V. 8 121 2007.
ISSN: ISSN 1345-711X
PubMed: 18058037
DOI: 10.1007/S10969-007-9036-1