Calcium in PDB 4fan: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days:
1.4.9.1; 1.4.99.3;

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days, PDB code: 4fan 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 (%)	17 / 23.4

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 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 40 Days (pdb code 4fan). 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 40 Days, PDB code: 4fan:
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 40 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 40 Days within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:45.1 occ:1.00 OD1 A:ASN66 2.1 39.2 1.0 O A:THR275 2.3 44.7 1.0 O A:PRO277 2.3 41.6 1.0 O A:HOH589 2.4 20.0 1.0 O A:HOH590 2.4 22.7 1.0 O A:HOH511 2.4 17.6 1.0 O A:HOH612 2.5 19.4 1.0 CG A:ASN66 3.2 44.4 1.0 C A:THR275 3.5 43.9 1.0 C A:PRO277 3.5 44.2 1.0 ND2 A:ASN66 3.8 43.1 1.0 C A:GLY276 4.1 46.4 1.0 N A:PRO277 4.2 46.6 1.0 CB A:THR275 4.3 42.8 1.0 O A:THR67 4.3 37.1 1.0 O A:GLY276 4.3 46.5 1.0 CA A:GLY276 4.3 46.4 1.0 N A:GLY276 4.4 44.9 1.0 CA A:TYR278 4.4 41.8 1.0 O A:HOH608 4.4 20.4 1.0 N A:TYR278 4.4 42.9 1.0 CB A:ASN66 4.4 44.0 1.0 OG1 A:THR275 4.5 41.7 1.0 CA A:THR275 4.5 42.8 1.0 CA A:PRO277 4.5 45.2 1.0 CD2 A:TYR278 4.6 41.4 1.0 O1A A:HEC403 4.7 41.7 1.0 CD A:PRO277 4.8 46.9 1.0 O2A A:HEC403 4.9 41.7 1.0 O A:HOH528 4.9 26.4 1.0 CE2 A:TYR278 5.0 41.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 40 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 40 Days within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:25.9 occ:1.00 O B:PRO277 2.3 27.7 1.0 O B:HOH545 2.3 19.4 1.0 O B:HOH554 2.3 16.8 1.0 O B:THR275 2.3 29.3 1.0 OD1 B:ASN66 2.3 27.1 1.0 O B:HOH516 2.4 15.7 1.0 O B:HOH616 2.5 23.0 1.0 CG B:ASN66 3.4 25.6 1.0 C B:PRO277 3.5 29.3 1.0 C B:THR275 3.5 29.2 1.0 ND2 B:ASN66 3.9 28.1 1.0 C B:GLY276 4.1 30.7 1.0 N B:PRO277 4.2 30.6 1.0 O B:HOH586 4.2 19.4 1.0 CB B:THR275 4.2 30.4 1.0 CA B:GLY276 4.3 29.5 1.0 O B:THR67 4.3 27.7 1.0 N B:GLY276 4.3 30.1 1.0 OG1 B:THR275 4.4 28.6 1.0 O B:GLY276 4.4 32.3 1.0 N B:TYR278 4.4 27.6 1.0 CA B:TYR278 4.4 26.8 1.0 CA B:PRO277 4.5 29.4 1.0 O1A B:HEC403 4.5 25.6 1.0 CA B:THR275 4.5 30.4 1.0 O2A B:HEC403 4.5 28.7 1.0 O B:HOH553 4.5 21.2 1.0 CD B:PRO277 4.7 30.7 1.0 CB B:ASN66 4.7 25.2 1.0 O B:HOH707 4.7 26.6 1.0 CD2 B:TYR278 4.8 31.6 1.0 CGA B:HEC403 5.0 27.5 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