Calcium in PDB 4fa4: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days, PDB code: 4fa4 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)	43.46 / 2.14
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.530, 83.520, 107.780, 109.92, 91.52, 105.78
R / Rfree (%)	16.3 / 22.7

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days (pdb code 4fa4). 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 10 Days, PDB code: 4fa4:
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 10 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 10 Days within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:33.3 occ:1.00 O A:THR275 2.2 33.9 1.0 O A:PRO277 2.3 35.2 1.0 OD1 A:ASN66 2.3 27.9 1.0 O A:HOH593 2.3 23.3 1.0 O A:HOH638 2.4 26.2 1.0 O A:HOH503 2.4 23.9 1.0 O A:HOH542 2.5 21.7 1.0 CG A:ASN66 3.4 36.9 1.0 C A:THR275 3.5 34.4 1.0 C A:PRO277 3.5 37.1 1.0 ND2 A:ASN66 3.9 37.0 1.0 C A:GLY276 4.1 37.8 1.0 CB A:THR275 4.2 32.4 1.0 N A:PRO277 4.2 38.0 1.0 O A:HOH558 4.2 20.7 1.0 OG1 A:THR275 4.2 32.8 1.0 O A:THR67 4.3 34.4 1.0 N A:GLY276 4.3 36.7 1.0 CA A:TYR278 4.4 36.3 1.0 CA A:GLY276 4.4 37.7 1.0 N A:TYR278 4.4 37.2 1.0 O A:GLY276 4.4 39.1 1.0 CA A:THR275 4.5 32.8 1.0 CA A:PRO277 4.5 38.2 1.0 O1A A:HEC403 4.6 37.4 1.0 CB A:ASN66 4.6 35.8 1.0 O2A A:HEC403 4.7 35.1 1.0 CD2 A:TYR278 4.7 33.2 1.0 CD A:PRO277 4.9 38.0 1.0 O A:HOH512 4.9 28.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:26.3 occ:1.00 O B:PRO277 2.3 26.8 1.0 O B:HOH526 2.3 15.0 1.0 OD1 B:ASN66 2.3 22.6 1.0 O B:THR275 2.3 29.4 1.0 O B:HOH514 2.4 16.4 1.0 O B:HOH547 2.4 23.6 1.0 O B:HOH525 2.5 18.8 1.0 CG B:ASN66 3.3 25.2 1.0 C B:PRO277 3.5 27.6 1.0 C B:THR275 3.6 29.5 1.0 ND2 B:ASN66 3.8 25.9 1.0 C B:GLY276 4.1 29.6 1.0 O B:HOH557 4.1 24.9 1.0 N B:PRO277 4.1 29.1 1.0 O B:THR67 4.2 25.4 1.0 CA B:GLY276 4.3 29.2 1.0 CB B:THR275 4.3 29.7 1.0 N B:GLY276 4.4 28.1 1.0 O B:GLY276 4.4 29.1 1.0 OG1 B:THR275 4.4 27.1 1.0 N B:TYR278 4.4 26.9 1.0 CA B:TYR278 4.4 25.9 1.0 CD B:PRO277 4.5 29.1 1.0 O B:HOH529 4.5 20.9 1.0 CA B:PRO277 4.5 28.8 1.0 O1A B:HEC403 4.6 24.6 1.0 CB B:ASN66 4.6 24.8 1.0 CA B:THR275 4.6 29.0 1.0 CD2 B:TYR278 4.7 26.0 1.0 O2A B:HEC403 4.8 29.3 1.0 O B:HOH551 4.8 28.9 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