Calcium in PDB 4fb1: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days, PDB code: 4fb1 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 / 2.15
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 (%)	16.2 / 22.2

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Calcium atom in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days (pdb code 4fb1). 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days, PDB code: 4fb1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days


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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:43.6 occ:1.00 OD1 A:ASN66 2.1 36.2 1.0 O A:THR275 2.3 44.4 1.0 O A:HOH514 2.3 23.1 1.0 O A:PRO277 2.3 46.9 1.0 O A:HOH523 2.5 28.3 1.0 O A:HOH545 2.5 24.3 1.0 O A:HOH572 2.6 24.0 1.0 CG A:ASN66 3.2 45.3 1.0 C A:THR275 3.5 44.2 1.0 C A:PRO277 3.6 48.4 1.0 ND2 A:ASN66 3.8 42.8 1.0 C A:GLY276 4.1 49.4 1.0 CA A:GLY276 4.3 47.8 1.0 CB A:THR275 4.3 42.2 1.0 O A:THR67 4.3 42.0 1.0 O A:GLY276 4.3 49.0 1.0 N A:PRO277 4.3 49.8 1.0 N A:GLY276 4.3 46.1 1.0 O A:HOH560 4.3 22.6 1.0 CA A:TYR278 4.4 47.2 1.0 CB A:ASN66 4.4 44.4 1.0 N A:TYR278 4.4 49.0 1.0 CA A:THR275 4.5 42.8 1.0 CA A:PRO277 4.6 50.1 1.0 OG1 A:THR275 4.6 39.1 1.0 O A:HOH534 4.6 19.5 1.0 O1A A:HEC403 4.6 47.1 1.0 CD2 A:TYR278 4.8 48.8 1.0 CD A:PRO277 4.9 50.3 1.0 O2A A:HEC403 5.0 42.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days


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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:31.6 occ:1.00 OD1 B:ASN66 2.3 33.2 1.0 O B:THR275 2.3 36.1 1.0 O B:HOH521 2.3 20.9 1.0 O B:PRO277 2.4 31.7 1.0 O B:HOH510 2.4 18.1 1.0 O B:HOH508 2.5 21.5 1.0 O B:HOH598 2.6 32.1 1.0 CG B:ASN66 3.4 34.4 1.0 C B:THR275 3.5 36.7 1.0 C B:PRO277 3.6 33.5 1.0 ND2 B:ASN66 3.9 31.6 1.0 C B:GLY276 4.1 37.4 1.0 O B:HOH534 4.1 26.6 1.0 N B:PRO277 4.2 37.4 1.0 CB B:THR275 4.3 36.6 1.0 CA B:GLY276 4.3 37.2 1.0 O B:THR67 4.3 35.7 1.0 N B:GLY276 4.4 36.9 1.0 CA B:TYR278 4.4 30.6 1.0 O B:GLY276 4.4 37.8 1.0 N B:TYR278 4.4 31.2 1.0 O1A B:HEC403 4.4 33.6 1.0 OG1 B:THR275 4.4 33.9 1.0 O B:HOH526 4.5 25.0 1.0 CA B:THR275 4.6 36.8 1.0 CA B:PRO277 4.6 34.7 1.0 O2A B:HEC403 4.6 30.6 1.0 CB B:ASN66 4.6 33.2 1.0 CD2 B:TYR278 4.7 30.5 1.0 O B:HOH566 4.7 30.6 1.0 CD B:PRO277 4.7 36.5 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