Sodium in PDB 4fan: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days, PDB code: 4fan 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 / 2.08
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 / 23.4

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days (pdb code 4fan). 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days, PDB code: 4fan:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days


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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Na404 b:39.4 occ:1.00 O B:LEU250 2.2 32.5 1.0 O B:ILE255 2.3 37.7 1.0 O B:HOH684 2.5 35.5 1.0 O B:HOH681 2.6 32.8 1.0 O B:HOH635 2.6 36.5 1.0 O B:ARG252 2.7 33.2 1.0 C B:LEU250 3.4 31.4 1.0 C B:ILE255 3.4 38.6 1.0 C B:ARG252 3.8 34.3 1.0 N B:ILE255 3.9 37.7 1.0 OE2 B:GLU256 3.9 50.6 1.0 C B:ALA251 3.9 32.4 1.0 CA B:ILE255 4.0 37.6 1.0 N B:GLY254 4.1 40.0 1.0 N B:ARG252 4.1 31.8 1.0 CB B:ILE255 4.1 37.5 1.0 CA B:ALA251 4.2 33.2 1.0 N B:ALA251 4.2 30.6 1.0 CA B:PRO253 4.3 38.2 1.0 O B:ALA251 4.3 34.3 1.0 CD1 B:LEU250 4.3 32.9 1.0 CA B:LEU250 4.4 30.5 1.0 C B:PRO253 4.5 39.1 1.0 N B:PRO253 4.5 36.1 1.0 N B:GLU256 4.5 39.5 1.0 CD B:GLU256 4.6 49.5 1.0 CA B:ARG252 4.6 31.1 1.0 C B:GLY254 4.7 39.9 1.0 CG B:LEU250 4.8 33.1 1.0 CA B:GLU256 4.8 40.5 1.0 O B:LEU249 4.9 29.2 1.0 CA B:GLY254 5.0 41.1 1.0 OE1 B:GLU256 5.0 52.2 1.0 CG2 B:ILE255 5.0 34.7 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days


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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Na407 b:46.6 occ:1.00 OD1 B:ASN231 2.3 33.9 1.0 O B:HOH679 2.4 20.6 1.0 O B:HOH590 2.4 22.7 1.0 O B:HOH669 2.4 22.4 1.0 OG1 B:THR233 2.6 37.6 1.0 O B:HOH643 2.7 28.1 1.0 CG B:ASN231 3.2 32.9 1.0 ND2 B:ASN231 3.4 26.4 1.0 CB B:THR233 3.7 37.1 1.0 N B:THR233 3.8 35.0 1.0 CG2 B:THR233 3.9 36.5 1.0 CA B:THR233 4.3 35.0 1.0 N B:ALA234 4.4 32.1 1.0 CB B:ASN231 4.6 30.1 1.0 N B:GLU232 4.6 32.3 1.0 O B:HOH596 4.7 21.0 1.0 C B:ASN231 4.7 30.7 1.0 C B:THR233 4.8 34.8 1.0 O B:HOH647 4.8 28.3 1.0 CA B:ASN231 4.8 30.8 1.0 C B:GLU232 4.9 34.3 1.0

E.T.Yukl, F.Liu, J.Krzystek, S.Shin, L.M.Jensen, V.L.Davidson, C.M.Wilmot, A.Liu. Diradical Intermediate Within the Context of Tryptophan Tryptophylquinone Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 110 4569 2013.
ISSN: ISSN 0027-8424
PubMed: 23487750
DOI: 10.1073/PNAS.1215011110