Calcium in PDB 4fav: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days, PDB code: 4fav 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 (%)	16.3 / 22.4

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days (pdb code 4fav). 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 50 Days, PDB code: 4fav:
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 50 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 50 Days within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:47.7 occ:1.00 O A:HOH537 2.3 20.1 1.0 O A:THR275 2.3 47.4 1.0 OD1 A:ASN66 2.3 44.1 1.0 O A:HOH521 2.3 13.7 1.0 O A:HOH553 2.3 25.3 1.0 O A:PRO277 2.3 47.1 1.0 O A:HOH556 2.5 16.6 1.0 CG A:ASN66 3.4 49.4 1.0 C A:THR275 3.5 46.2 1.0 C A:PRO277 3.6 50.0 1.0 ND2 A:ASN66 3.9 44.3 1.0 C A:GLY276 4.1 52.3 1.0 O A:THR67 4.1 42.2 1.0 N A:PRO277 4.2 52.8 1.0 CB A:THR275 4.3 42.5 1.0 CA A:GLY276 4.3 50.9 1.0 O A:GLY276 4.3 52.1 1.0 N A:GLY276 4.4 48.4 1.0 CA A:TYR278 4.4 47.1 1.0 OG1 A:THR275 4.5 37.3 1.0 N A:TYR278 4.5 49.9 1.0 CA A:THR275 4.5 44.2 1.0 CA A:PRO277 4.6 52.0 1.0 CB A:ASN66 4.6 48.5 1.0 O1A A:HEC403 4.7 41.8 1.0 CD2 A:TYR278 4.8 45.8 1.0 O A:HOH518 4.8 30.2 1.0 O2A A:HEC403 4.8 39.9 1.0 CD A:PRO277 4.9 54.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 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 50 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:26.3 occ:1.00 O B:HOH511 2.3 16.4 1.0 OD1 B:ASN66 2.3 29.8 1.0 O B:HOH522 2.3 18.0 1.0 O B:HOH504 2.4 14.8 1.0 O B:THR275 2.4 31.1 1.0 O B:PRO277 2.4 28.0 1.0 O B:HOH602 2.5 25.3 1.0 CG B:ASN66 3.4 29.3 1.0 C B:PRO277 3.6 28.0 1.0 C B:THR275 3.6 30.8 1.0 ND2 B:ASN66 3.9 29.1 1.0 C B:GLY276 4.1 32.0 1.0 O B:HOH540 4.2 21.7 1.0 N B:PRO277 4.2 31.2 1.0 O B:THR67 4.3 29.4 1.0 CA B:GLY276 4.3 30.9 1.0 CB B:THR275 4.4 32.5 1.0 O B:GLY276 4.4 33.1 1.0 CA B:TYR278 4.4 23.4 1.0 OG1 B:THR275 4.4 30.0 1.0 N B:GLY276 4.4 29.8 1.0 N B:TYR278 4.4 24.0 1.0 O1A B:HEC403 4.5 25.4 1.0 O B:HOH562 4.5 27.2 1.0 O B:HOH581 4.5 23.1 1.0 CB B:ASN66 4.6 26.8 1.0 CA B:PRO277 4.6 29.0 1.0 O2A B:HEC403 4.6 27.9 1.0 CA B:THR275 4.7 31.7 1.0 CD2 B:TYR278 4.8 26.7 1.0 CD B:PRO277 4.8 31.6 1.0 CGA B:HEC403 5.0 27.6 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