Sodium in PDB 3pxw: Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase

All present enzymatic activity of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase:
1.4.99.3;

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw was solved by E.T.Yukl, B.R.Goblirsch, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 2.11
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 (%)	18.9 / 24.2

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Calcium	(Ca)	2 atoms

The binding sites of Sodium atom in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase (pdb code 3pxw). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na374 b:36.0 occ:1.00 O A:HOH381 2.3 14.5 1.0 O A:HOH601 2.3 24.8 1.0 OD1 A:ASN231 2.4 24.2 1.0 OG1 A:THR233 2.6 28.9 1.0 O A:HOH449 2.6 14.5 1.0 O A:HOH417 2.6 26.5 1.0 CG A:ASN231 3.3 25.5 1.0 ND2 A:ASN231 3.6 24.1 1.0 CB A:THR233 3.8 28.8 1.0 O A:HOH1085 3.9 32.7 1.0 N A:THR233 4.0 28.9 1.0 CG2 A:THR233 4.2 29.9 1.0 O A:HOH959 4.4 22.7 1.0 CA A:THR233 4.4 28.8 1.0 N A:ALA234 4.5 27.1 1.0 CB A:ASN231 4.6 26.2 1.0 N A:GLU232 4.6 28.3 1.0 C A:ASN231 4.8 27.6 1.0 CA A:ASN231 4.8 26.8 1.0 O A:ALA49 4.9 29.0 1.0 C A:THR233 4.9 28.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Na374 b:28.3 occ:1.00 O B:HOH855 2.3 25.5 1.0 O B:HOH618 2.4 26.7 1.0 O B:HOH418 2.4 24.3 1.0 OD1 B:ASN231 2.5 24.8 1.0 O B:HOH843 2.5 18.8 1.0 OG1 B:THR233 2.6 26.7 1.0 CG B:ASN231 3.4 23.4 1.0 ND2 B:ASN231 3.7 23.5 1.0 O B:HOH672 3.7 31.9 1.0 CB B:THR233 3.9 26.7 1.0 CG2 B:THR233 4.2 27.4 1.0 O B:HOH597 4.2 28.1 1.0 N B:THR233 4.2 25.7 1.0 CA B:THR233 4.6 26.4 1.0 N B:ALA234 4.7 25.5 1.0 O B:HOH989 4.7 19.9 1.0 CB B:ASN231 4.8 22.3 1.0 O B:HOH1067 4.8 38.1 1.0 N B:GLU232 4.9 24.2 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