Calcium in PDB 4fa1: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days.

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days.:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days., PDB code: 4fa1 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)	37.17 / 2.18
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 (%)	15.7 / 22.7

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. (pdb code 4fa1). 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 130 Days., PDB code: 4fa1:
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 130 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 130 Days. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:40.3 occ:1.00 OD1 A:ASN66 2.1 37.5 1.0 O A:HOH579 2.3 25.2 1.0 O A:THR275 2.3 35.2 1.0 O A:PRO277 2.4 38.3 1.0 O A:HOH513 2.4 20.1 1.0 O A:HOH588 2.5 30.1 1.0 O A:HOH526 2.6 23.2 1.0 CG A:ASN66 3.3 40.4 1.0 C A:THR275 3.5 35.1 1.0 C A:PRO277 3.6 38.4 1.0 ND2 A:ASN66 4.0 41.6 1.0 C A:GLY276 4.1 38.8 1.0 OG1 A:THR275 4.2 32.4 1.0 CA A:GLY276 4.2 37.2 1.0 CB A:THR275 4.3 32.8 1.0 O A:HOH626 4.3 27.4 1.0 O A:THR67 4.3 35.6 1.0 N A:GLY276 4.3 37.0 1.0 N A:PRO277 4.3 39.0 1.0 CA A:TYR278 4.4 38.1 1.0 O A:GLY276 4.4 37.6 1.0 N A:TYR278 4.5 38.1 1.0 CB A:ASN66 4.5 39.7 1.0 CA A:THR275 4.5 34.5 1.0 CA A:PRO277 4.6 39.5 1.0 CD2 A:TYR278 4.7 38.8 1.0 O1A A:HEC403 4.7 34.7 1.0 O2A A:HEC403 4.9 34.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 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 26.3 1.0 O B:THR275 2.3 32.0 1.0 O B:HOH538 2.4 23.5 1.0 O B:HOH515 2.4 15.2 1.0 O B:HOH519 2.4 13.2 1.0 OD1 B:ASN66 2.4 28.0 1.0 O B:HOH574 2.5 21.8 1.0 CG B:ASN66 3.5 29.6 1.0 C B:PRO277 3.5 27.9 1.0 C B:THR275 3.5 31.7 1.0 C B:GLY276 3.9 31.3 1.0 ND2 B:ASN66 4.0 29.9 1.0 N B:PRO277 4.1 30.4 1.0 CA B:GLY276 4.2 31.7 1.0 O B:HOH586 4.2 18.4 1.0 O B:GLY276 4.2 31.9 1.0 OG1 B:THR275 4.3 27.4 1.0 N B:GLY276 4.3 32.2 1.0 O B:THR67 4.3 29.7 1.0 CB B:THR275 4.4 31.5 1.0 N B:TYR278 4.4 26.2 1.0 CA B:TYR278 4.4 26.4 1.0 CA B:PRO277 4.5 28.4 1.0 O1A B:HEC403 4.6 28.5 1.0 O B:HOH581 4.6 21.4 1.0 CA B:THR275 4.6 31.4 1.0 O2A B:HEC403 4.6 31.8 1.0 CB B:ASN66 4.7 26.9 1.0 CD2 B:TYR278 4.7 28.4 1.0 CD B:PRO277 4.8 29.8 1.0 O B:HOH552 4.9 21.7 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