Calcium in PDB 4fa5: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days, PDB code: 4fa5 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 / 1.94
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 (%)	15.2 / 20.4

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days (pdb code 4fa5). 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 20 Days, PDB code: 4fa5:
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 20 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 20 Days within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:31.4 occ:1.00 OD1 A:ASN66 2.1 29.9 1.0 O A:PRO277 2.3 34.8 1.0 O A:THR275 2.3 34.3 1.0 O A:HOH559 2.4 18.3 1.0 O A:HOH531 2.4 18.1 1.0 O A:HOH540 2.4 22.2 1.0 O A:HOH528 2.5 22.4 1.0 CG A:ASN66 3.3 33.9 1.0 C A:THR275 3.5 34.1 1.0 C A:PRO277 3.6 35.3 1.0 ND2 A:ASN66 3.8 32.7 1.0 C A:GLY276 4.1 35.6 1.0 O A:THR67 4.2 31.2 1.0 N A:PRO277 4.2 36.2 1.0 CA A:GLY276 4.3 34.8 1.0 CB A:THR275 4.3 31.9 1.0 N A:GLY276 4.3 35.0 1.0 O A:HOH615 4.3 20.2 1.0 CA A:TYR278 4.4 33.6 1.0 OG1 A:THR275 4.4 34.3 1.0 O A:GLY276 4.4 34.9 1.0 N A:TYR278 4.4 34.4 1.0 CB A:ASN66 4.5 35.0 1.0 CA A:PRO277 4.5 36.4 1.0 CA A:THR275 4.6 33.5 1.0 O1A A:HEC403 4.6 31.2 1.0 O A:HOH525 4.7 20.1 1.0 CD2 A:TYR278 4.8 32.8 1.0 O2A A:HEC403 4.8 28.3 1.0 CD A:PRO277 4.8 37.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:22.7 occ:1.00 OD1 B:ASN66 2.3 21.2 1.0 O B:THR275 2.3 24.4 1.0 O B:HOH517 2.3 16.8 1.0 O B:HOH520 2.4 15.1 1.0 O B:PRO277 2.4 23.0 1.0 O B:HOH537 2.4 20.8 1.0 O B:HOH524 2.5 14.6 1.0 CG B:ASN66 3.4 24.4 1.0 C B:THR275 3.5 25.3 1.0 C B:PRO277 3.6 23.0 1.0 ND2 B:ASN66 4.0 22.3 1.0 C B:GLY276 4.0 23.8 1.0 N B:PRO277 4.2 22.7 1.0 O B:HOH544 4.2 19.4 1.0 O B:THR67 4.2 23.7 1.0 CB B:THR275 4.3 26.1 1.0 OG1 B:THR275 4.3 25.4 1.0 O B:GLY276 4.3 23.8 1.0 CA B:GLY276 4.3 23.2 1.0 N B:GLY276 4.4 24.3 1.0 O B:HOH523 4.4 15.9 1.0 CA B:TYR278 4.4 21.9 1.0 N B:TYR278 4.4 22.4 1.0 CA B:THR275 4.5 25.9 1.0 CA B:PRO277 4.6 21.2 1.0 O1A B:HEC403 4.6 22.3 1.0 CB B:ASN66 4.6 23.3 1.0 CD B:PRO277 4.7 22.2 1.0 O2A B:HEC403 4.7 24.0 1.0 O B:HOH532 4.8 19.9 1.0 CD2 B:TYR278 4.8 25.0 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