Calcium in PDB 3nok: Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase

All present enzymatic activity of Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase:
2.3.2.5;

The structure of Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase, PDB code: 3nok was solved by C.Parthier, D.R.Carrillo, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.790, 46.060, 81.000, 90.00, 112.97, 90.00
R / Rfree (%)	19.5 / 23.6

The binding sites of Calcium atom in the Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase (pdb code 3nok). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase, PDB code: 3nok:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase


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 Myxococcus Xanthus Glutaminyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca257 b:6.4 occ:1.00 OE1 A:GLU175 2.2 7.8 1.0 O A:LEU48 2.3 7.0 1.0 O A:HOH311 2.3 8.4 1.0 O A:ILE228 2.4 6.6 1.0 O A:LEU174 2.4 7.2 1.0 OE1 A:GLU173 2.5 8.4 1.0 OE2 A:GLU173 2.7 7.9 1.0 CD A:GLU173 3.0 8.5 1.0 CD A:GLU175 3.5 6.1 1.0 C A:LEU174 3.5 5.9 1.0 C A:LEU48 3.6 7.8 1.0 C A:ILE228 3.6 6.1 1.0 CB A:GLU175 3.7 7.7 1.0 CA A:GLU175 3.9 7.7 1.0 N A:LEU48 4.1 8.0 1.0 N A:GLU175 4.2 5.9 1.0 CG A:GLU175 4.2 10.0 1.0 N A:ILE228 4.3 6.0 1.0 CA A:LEU48 4.3 5.5 1.0 O A:HOH309 4.3 8.4 1.0 O2S A:MES258 4.5 9.3 1.0 CA A:ILE228 4.5 5.8 1.0 N A:ALA229 4.5 7.2 1.0 CA A:ALA229 4.5 8.2 1.0 CG A:GLU173 4.5 8.1 1.0 OE2 A:GLU175 4.5 8.0 1.0 O A:LEU89 4.5 7.5 1.0 N A:VAL49 4.5 7.2 1.0 CA A:VAL49 4.6 6.9 1.0 CB A:VAL49 4.6 6.9 1.0 CB A:LEU48 4.6 5.1 1.0 N A:LEU174 4.6 6.8 1.0 CA A:LEU174 4.7 4.9 1.0 CB A:ILE228 4.8 8.1 1.0 CG2 A:VAL49 4.9 7.8 1.0 CB A:ALA229 4.9 7.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Myxococcus Xanthus Glutaminyl Cyclase


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 Myxococcus Xanthus Glutaminyl Cyclase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca257 b:15.1 occ:1.00 O B:LEU48 2.3 13.0 1.0 O B:ILE228 2.4 14.2 1.0 O B:HOH275 2.4 16.6 1.0 OE1 B:GLU175 2.4 16.8 1.0 O B:LEU174 2.4 12.2 1.0 OE2 B:GLU173 2.5 19.6 1.0 OE1 B:GLU173 2.6 15.1 1.0 CD B:GLU173 3.0 19.3 1.0 C B:LEU48 3.5 13.4 1.0 CD B:GLU175 3.6 20.3 1.0 C B:LEU174 3.6 14.1 1.0 C B:ILE228 3.6 14.3 1.0 CB B:GLU175 3.7 16.7 1.0 CA B:GLU175 3.9 15.8 1.0 N B:LEU48 4.1 14.9 1.0 N B:ILE228 4.2 12.5 1.0 N B:GLU175 4.2 13.5 1.0 CG B:GLU175 4.2 16.9 1.0 CA B:LEU48 4.3 14.2 1.0 O3S B:MES258 4.3 19.5 1.0 O B:HOH277 4.4 16.2 1.0 O B:LEU89 4.5 17.1 1.0 CA B:ILE228 4.5 13.7 1.0 CG B:GLU173 4.5 16.1 1.0 N B:ALA229 4.5 14.0 1.0 CA B:ALA229 4.5 14.9 1.0 N B:VAL49 4.5 15.5 1.0 OE2 B:GLU175 4.5 15.9 1.0 CB B:LEU48 4.6 13.1 1.0 CA B:VAL49 4.6 17.3 1.0 CB B:ILE228 4.7 14.2 1.0 N B:LEU174 4.7 12.6 1.0 CB B:VAL49 4.7 19.2 1.0 CA B:LEU174 4.7 14.0 1.0 CG2 B:VAL49 4.8 19.0 1.0 CB B:ALA229 4.9 14.7 1.0

D.R.Carrillo, C.Parthier, N.Janckel, J.Grandke, M.Stelter, S.Schilling, M.Boehme, P.Neumann, R.Wolf, H.U.Demuth, M.T.Stubbs, J.U.Rahfeld. Kinetic and Structural Characterization of Bacterial Glutaminyl Cyclases From Zymomonas Mobilis and Myxococcus Xanthus Biol.Chem. V. 391 1419 2010.
ISSN: ISSN 1431-6730
PubMed: 20868223
DOI: 10.1515/BC.2010.130