Calcium in PDB 3ip7: Structure of ATU2422-Gaba Receptor in Complex with Valine

The structure of Structure of ATU2422-Gaba Receptor in Complex with Valine, PDB code: 3ip7 was solved by S.Morera, S.Planamente, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.18 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.640, 39.120, 70.720, 90.00, 94.38, 90.00
R / Rfree (%)	23.1 / 27.2

The binding sites of Calcium atom in the Structure of ATU2422-Gaba Receptor in Complex with Valine (pdb code 3ip7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of ATU2422-Gaba Receptor in Complex with Valine, PDB code: 3ip7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of ATU2422-Gaba Receptor in Complex with Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of ATU2422-Gaba Receptor in Complex with Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca357 b:26.2 occ:1.00 O A:HOH374 2.9 20.0 1.0 N A:GLY80 2.9 17.2 1.0 O A:HOH375 3.2 17.7 1.0 N A:TYR150 3.3 11.8 1.0 CB A:TYR150 3.5 8.0 1.0 CA A:GLY80 3.6 16.1 1.0 CB A:THR148 3.7 13.5 1.0 CD A:PRO149 3.7 15.9 1.0 N A:SER79 3.7 12.3 1.0 OG1 A:THR148 3.8 15.0 1.0 C A:SER79 3.9 14.3 1.0 N A:PRO149 4.0 14.2 1.0 O A:VAL500 4.0 10.6 1.0 CB A:SER79 4.0 12.2 1.0 CA A:TYR150 4.0 10.1 1.0 CA A:SER79 4.1 15.3 1.0 O A:HOH362 4.2 17.3 1.0 O A:HOH371 4.2 22.1 1.0 CB A:ASN78 4.2 15.4 1.0 CB A:PRO149 4.2 14.5 1.0 C A:PRO149 4.3 14.1 1.0 CG A:PRO149 4.3 15.9 1.0 C A:ASN78 4.4 14.8 1.0 CA A:PRO149 4.4 15.3 1.0 CG2 A:THR148 4.5 17.7 1.0 C A:THR148 4.5 14.1 1.0 CA A:ASN78 4.6 16.0 1.0 CA A:THR148 4.7 13.8 1.0 CG A:TYR150 4.8 12.1 1.0 C A:GLY80 4.8 15.2 1.0 OD1 A:ASN78 5.0 19.9 1.0 O A:HOH388 5.0 19.7 1.0

Calcium binding site 2 out of 2 in the Structure of ATU2422-Gaba Receptor in Complex with Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of ATU2422-Gaba Receptor in Complex with Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca358 b:36.2 occ:1.00 O A:PHE319 2.5 29.9 1.0 O A:HOH447 2.5 33.8 1.0 O A:LYS306 2.7 29.3 1.0 NZ A:LYS326 2.9 42.2 1.0 O A:HOH515 3.0 36.6 1.0 C A:PHE319 3.6 31.0 1.0 C A:LYS306 3.9 28.0 1.0 CE A:LYS326 4.1 40.4 1.0 CA A:ASP320 4.3 28.8 1.0 N A:PHE319 4.3 32.3 1.0 N A:ASP320 4.4 30.8 1.0 O A:LYS307 4.6 39.9 1.0 CA A:PHE319 4.6 30.1 1.0 CA A:LYS306 4.7 28.4 1.0 N A:LYS307 4.8 33.6 1.0 C A:ASP320 4.9 31.3 1.0 CA A:LYS307 4.9 38.3 1.0 CD A:LYS326 4.9 41.0 1.0 C A:LYS307 4.9 40.8 1.0 CB A:SER318 5.0 32.2 1.0

S.Planamente, A.Vigouroux, S.Mondy, M.Nicaise, D.Faure, S.Morera. A Conserved Mechanism of Gaba Binding and Antagonism Is Revealed By Structure-Function Analysis of the Periplasmic Binding Protein ATU2422 in Agrobacterium Tumefaciens. J.Biol.Chem. V. 285 30294 2010.
ISSN: ISSN 0021-9258
PubMed: 20630861
DOI: 10.1074/JBC.M110.140715