Calcium in PDB 3rlm: Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide

All present enzymatic activity of Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide:
1.4.99.3;

The structure of Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3rlm was solved by E.T.Yukl, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 2.13
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.530, 83.520, 107.780, 109.94, 91.54, 105.78
R / Rfree (%)	18.1 / 23.7

The structure of Structure of the W199F 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 Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide (pdb code 3rlm). 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 the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3rlm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the W199F 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 Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:40.5 occ:1.00 OD1 A:ASN66 2.1 34.3 1.0 O A:HOH430 2.2 26.8 1.0 O A:THR275 2.4 35.7 1.0 O A:HOH414 2.4 19.4 1.0 O A:HOH385 2.5 33.5 1.0 O A:PRO277 2.5 37.5 1.0 O A:HOH401 2.5 22.8 1.0 CG A:ASN66 3.3 36.0 1.0 C A:THR275 3.6 35.7 1.0 C A:PRO277 3.7 38.4 1.0 ND2 A:ASN66 3.9 35.6 1.0 C A:GLY276 4.2 38.0 1.0 CB A:THR275 4.3 33.6 1.0 OG1 A:THR275 4.3 30.9 1.0 O A:THR67 4.3 32.1 1.0 N A:PRO277 4.4 38.4 1.0 N A:GLY276 4.4 36.8 1.0 CA A:GLY276 4.4 37.5 1.0 O A:GLY276 4.4 37.1 1.0 CB A:ASN66 4.5 35.9 1.0 CA A:TYR278 4.5 38.3 1.0 N A:TYR278 4.5 38.6 1.0 O A:HOH461 4.6 20.4 1.0 O1A A:HEC600 4.6 37.7 1.0 CA A:THR275 4.6 34.7 1.0 CA A:PRO277 4.7 39.0 1.0 O A:HOH376 4.8 22.8 1.0 CD2 A:TYR278 4.9 34.4 1.0 O2A A:HEC600 4.9 37.3 1.0

Calcium binding site 2 out of 2 in the Structure of the W199F 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 Structure of the W199F Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:24.4 occ:1.00 O B:HOH395 2.2 18.6 1.0 OD1 B:ASN66 2.3 26.4 1.0 O B:THR275 2.3 27.6 1.0 O B:HOH544 2.4 28.9 1.0 O B:PRO277 2.4 25.5 1.0 O B:HOH401 2.5 22.3 1.0 O B:HOH450 2.5 18.9 1.0 CG B:ASN66 3.4 27.6 1.0 C B:THR275 3.5 29.1 1.0 C B:PRO277 3.7 26.5 1.0 ND2 B:ASN66 3.8 27.8 1.0 O B:HOH466 4.1 20.0 1.0 C B:GLY276 4.1 29.8 1.0 O B:THR67 4.2 31.3 1.0 O B:GLY276 4.2 30.6 1.0 N B:PRO277 4.3 29.3 1.0 CB B:THR275 4.3 29.5 1.0 CA B:GLY276 4.3 29.4 1.0 N B:GLY276 4.4 29.3 1.0 OG1 B:THR275 4.4 29.0 1.0 O B:HOH421 4.5 20.6 1.0 N B:TYR278 4.5 25.6 1.0 CA B:TYR278 4.5 25.0 1.0 CA B:THR275 4.6 29.4 1.0 CA B:PRO277 4.6 28.2 1.0 CB B:ASN66 4.6 28.2 1.0 O1A B:HEC600 4.7 28.2 1.0 O2A B:HEC600 4.7 29.8 1.0 CD B:PRO277 4.8 29.4 1.0 O B:HOH554 4.8 24.2 1.0 CD2 B:TYR278 4.9 24.4 1.0

N.A.Tarboush, L.M.Jensen, E.T.Yukl, J.Geng, A.Liu, C.M.Wilmot, V.L.Davidson. Mutagenesis of TRYPTOPHAN199 Suggests That Hopping Is Required For Maug-Dependent Tryptophan Tryptophylquinone Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 108 16956 2011.
ISSN: ISSN 0027-8424
PubMed: 21969534
DOI: 10.1073/PNAS.1109423108