Calcium in PDB 3l4o: Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide

All present enzymatic activity of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide:
1.4.99.3;

The structure of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3l4o was solved by L.M.R.Jensen, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.20 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.527, 83.524, 107.782, 109.94, 91.54, 105.78
R / Rfree (%)	14.2 / 19.4

The structure of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide (pdb code 3l4o). 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 the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3l4o:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


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 Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:25.9 occ:1.00 O A:HOH397 2.3 13.6 1.0 O A:THR275 2.3 19.5 1.0 O A:HOH387 2.4 17.0 1.0 OD1 A:ASN66 2.4 20.7 1.0 O A:PRO277 2.4 17.4 1.0 O A:HOH380 2.6 15.6 1.0 O A:HOH379 2.7 18.1 1.0 CG A:ASN66 3.5 17.9 1.0 C A:THR275 3.6 18.4 1.0 C A:PRO277 3.7 18.1 1.0 ND2 A:ASN66 4.0 16.1 1.0 C A:GLY276 4.1 18.1 1.0 CA A:GLY276 4.2 17.8 1.0 N A:PRO277 4.3 18.0 1.0 O A:HOH423 4.3 22.5 1.0 N A:GLY276 4.4 17.6 1.0 CA A:TYR278 4.4 18.8 1.0 O A:GLY276 4.4 17.8 1.0 O A:THR67 4.4 14.9 1.0 CB A:THR275 4.4 19.0 1.0 OG1 A:THR275 4.5 19.1 1.0 N A:TYR278 4.5 18.4 1.0 O A:HOH401 4.5 16.9 1.0 O1A A:HEC600 4.6 28.7 1.0 CA A:THR275 4.6 18.2 1.0 CA A:PRO277 4.6 18.3 1.0 O2A A:HEC600 4.7 25.2 1.0 CB A:ASN66 4.7 18.6 1.0 CD2 A:TYR278 4.7 18.2 1.0 CD A:PRO277 4.7 16.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


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 Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:20.5 occ:1.00 O B:PRO277 2.3 15.6 1.0 O B:HOH383 2.4 19.9 1.0 O B:THR275 2.4 18.8 1.0 OD1 B:ASN66 2.4 19.8 1.0 O B:HOH415 2.5 15.4 1.0 O B:HOH398 2.5 15.1 1.0 O B:HOH440 2.5 24.3 1.0 CG B:ASN66 3.5 17.5 1.0 C B:PRO277 3.5 17.2 1.0 C B:THR275 3.6 19.8 1.0 ND2 B:ASN66 4.0 12.6 1.0 C B:GLY276 4.2 19.5 1.0 N B:PRO277 4.2 18.4 1.0 O B:HOH439 4.3 17.0 1.0 CA B:GLY276 4.3 20.5 1.0 OG1 B:THR275 4.4 19.9 1.0 CA B:TYR278 4.4 16.0 1.0 CB B:THR275 4.4 20.4 1.0 N B:TYR278 4.4 15.8 1.0 O B:THR67 4.4 17.7 1.0 O B:GLY276 4.5 20.1 1.0 N B:GLY276 4.5 18.7 1.0 CA B:PRO277 4.5 17.1 1.0 O1A B:HEC600 4.6 21.5 1.0 CA B:THR275 4.7 19.8 1.0 O2A B:HEC600 4.7 18.5 1.0 O B:HOH472 4.7 19.2 1.0 CB B:ASN66 4.7 16.1 1.0 CD B:PRO277 4.8 18.2 1.0 CD2 B:TYR278 4.8 15.4 1.0 O B:HOH421 4.9 29.7 1.0

L.M.Jensen, R.Sanishvili, V.L.Davidson, C.M.Wilmot. In Crystallo Posttranslational Modification Within A Maug/Pre-Methylamine Dehydrogenase Complex. Science V. 327 1392 2010.
ISSN: ISSN 0036-8075
PubMed: 20223990
DOI: 10.1126/SCIENCE.1182492