Calcium in PDB 3rn1: Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex

All present enzymatic activity of Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex:
1.4.99.3;

The structure of Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex, PDB code: 3rn1 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)	43.46 / 1.93
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 (%)	14.4 / 19.2

The structure of Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Sodium	(Na)	4 atoms

The binding sites of Calcium atom in the Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex (pdb code 3rn1). 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 W199E-Maug/Pre-Methylamine Dehydrogenase Complex, PDB code: 3rn1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex


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 W199E-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:11.1 occ:1.00 O A:PRO277 2.3 9.2 1.0 O A:HOH385 2.3 6.8 1.0 O A:HOH394 2.4 6.1 1.0 O A:HOH378 2.4 5.7 1.0 O A:THR275 2.4 11.2 1.0 ND2 A:ASN66 2.4 8.2 1.0 O A:HOH377 2.6 12.4 1.0 CG A:ASN66 3.5 9.9 1.0 C A:PRO277 3.6 10.9 1.0 C A:THR275 3.6 11.1 1.0 OD1 A:ASN66 4.0 11.6 1.0 C A:GLY276 4.1 11.0 1.0 O A:HOH422 4.3 12.2 1.0 N A:PRO277 4.3 9.9 1.0 CA A:GLY276 4.3 9.9 1.0 CB A:THR275 4.4 12.5 1.0 CA A:TYR278 4.4 10.2 1.0 O A:THR67 4.4 8.8 1.0 OG1 A:THR275 4.4 10.8 1.0 N A:GLY276 4.4 9.8 1.0 N A:TYR278 4.5 10.4 1.0 O A:GLY276 4.5 11.8 1.0 O1A A:HEC600 4.6 12.7 1.0 CA A:PRO277 4.6 10.5 1.0 O A:HOH397 4.6 9.2 1.0 CA A:THR275 4.7 11.6 1.0 O2A A:HEC600 4.7 9.5 1.0 CB A:ASN66 4.7 9.3 1.0 CD2 A:TYR278 4.8 12.9 1.0 CD A:PRO277 4.8 9.9 1.0 O A:HOH452 5.0 16.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the W199E-Maug/Pre-Methylamine Dehydrogenase Complex


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 W199E-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:11.0 occ:1.00 O B:HOH385 2.2 7.6 1.0 O B:HOH417 2.3 9.3 1.0 O B:THR275 2.3 11.1 1.0 O B:PRO277 2.4 12.4 1.0 O B:HOH403 2.4 7.3 1.0 O B:HOH439 2.4 8.5 1.0 OD1 B:ASN66 2.4 10.2 1.0 CG B:ASN66 3.5 11.5 1.0 C B:THR275 3.6 13.0 1.0 C B:PRO277 3.6 13.3 1.0 ND2 B:ASN66 4.0 10.2 1.0 C B:GLY276 4.1 14.4 1.0 N B:PRO277 4.3 13.3 1.0 O B:HOH442 4.3 13.5 1.0 CA B:GLY276 4.3 13.6 1.0 CB B:THR275 4.3 13.1 1.0 OG1 B:THR275 4.4 10.0 1.0 O B:GLY276 4.4 16.2 1.0 N B:GLY276 4.4 12.9 1.0 CA B:TYR278 4.4 11.5 1.0 O B:THR67 4.5 12.7 1.0 N B:TYR278 4.5 11.9 1.0 CA B:PRO277 4.6 13.6 1.0 CA B:THR275 4.6 12.8 1.0 O B:HOH471 4.6 13.2 1.0 O1A B:HEC600 4.6 12.5 1.0 O2A B:HEC600 4.7 10.9 1.0 CB B:ASN66 4.8 10.2 1.0 O B:HOH425 4.8 20.2 1.0 CD2 B:TYR278 4.8 11.9 1.0 CD B:PRO277 4.9 13.3 1.0

L.M.R.Jensen, C.M.Wilmot. Mutagenesis of TRYPTOPHAN199 Reveals That Electron Hopping Is Required For Maug-Dependent Tryptophan Tryptophylquinone Biosynthesis To Be Published.