Calcium in PDB 3pxs: Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:

All present enzymatic activity of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase::
1.4.99.3;

The structure of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:, PDB code: 3pxs was solved by E.T.Yukl, B.R.Goblirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 2.22
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 (%)	17.7 / 22.9

The structure of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: 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 Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: (pdb code 3pxs). 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 Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:, PDB code: 3pxs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


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 Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:20.8 occ:1.00 OD1 A:ASN66 2.3 20.9 1.0 O A:HOH399 2.4 11.8 1.0 O A:HOH386 2.4 6.8 1.0 O A:THR275 2.4 21.8 1.0 O A:PRO277 2.4 22.0 1.0 O A:HOH434 2.5 15.4 1.0 O A:HOH417 2.5 12.1 1.0 CG A:ASN66 3.4 21.4 1.0 C A:THR275 3.7 22.2 1.0 C A:PRO277 3.7 22.5 1.0 ND2 A:ASN66 4.0 19.6 1.0 C A:GLY276 4.2 22.4 1.0 O A:HOH382 4.3 21.4 1.0 N A:PRO277 4.3 22.4 1.0 CA A:GLY276 4.4 22.1 1.0 O A:THR67 4.4 22.4 1.0 CB A:THR275 4.5 22.3 1.0 N A:GLY276 4.5 22.0 1.0 CA A:TYR278 4.5 22.8 1.0 OG1 A:THR275 4.5 21.8 1.0 N A:TYR278 4.5 22.8 1.0 CB A:ASN66 4.6 21.8 1.0 O A:HOH425 4.6 19.4 1.0 O A:GLY276 4.6 22.6 1.0 CA A:PRO277 4.6 22.5 1.0 O1A A:HEC600 4.7 21.3 1.0 CA A:THR275 4.7 22.2 1.0 CD2 A:TYR278 4.8 23.4 1.0 O2A A:HEC600 4.8 20.2 1.0 CD A:PRO277 4.9 22.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


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 Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:17.8 occ:1.00 O B:HOH806 2.2 27.1 1.0 O B:HOH377 2.3 9.8 1.0 O B:PRO277 2.4 19.0 1.0 O B:THR275 2.4 20.3 1.0 O B:HOH395 2.5 14.6 1.0 O B:HOH404 2.5 10.4 1.0 OD1 B:ASN66 2.5 21.1 1.0 CG B:ASN66 3.6 21.9 1.0 C B:PRO277 3.6 19.5 1.0 C B:THR275 3.6 20.7 1.0 ND2 B:ASN66 4.1 22.5 1.0 C B:GLY276 4.1 20.3 1.0 N B:PRO277 4.2 20.1 1.0 O B:HOH453 4.3 23.0 1.0 CA B:GLY276 4.4 20.4 1.0 OG1 B:THR275 4.4 20.9 1.0 CB B:THR275 4.4 20.6 1.0 CA B:TYR278 4.4 19.1 1.0 O B:THR67 4.4 23.1 1.0 O B:GLY276 4.4 20.2 1.0 N B:GLY276 4.5 20.6 1.0 N B:TYR278 4.5 19.1 1.0 CA B:PRO277 4.5 19.8 1.0 O1A B:HEC600 4.6 21.6 1.0 O2A B:HEC600 4.6 21.3 1.0 CA B:THR275 4.6 20.8 1.0 O B:HOH997 4.6 19.8 1.0 CB B:ASN66 4.8 22.4 1.0 CD B:PRO277 4.8 20.0 1.0 O B:HOH444 4.9 18.1 1.0 CD2 B:TYR278 4.9 20.1 1.0 CGA B:HEC600 5.0 20.1 1.0

E.T.Yukl, B.R.Goblirsch, V.L.Davidson, C.M.Wilmot. Crystal Structures of Co and No Adducts of Maug in Complex with Pre-Methylamine Dehydrogenase: Implications For the Mechanism of Dioxygen Activation. Biochemistry V. 50 2931 2011.
ISSN: ISSN 0006-2960
PubMed: 21355604
DOI: 10.1021/BI200023N