Calcium in PDB 3pxw: Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase

All present enzymatic activity of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase:
1.4.99.3;

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw was solved by E.T.Yukl, B.R.Goblirsch, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 2.11
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 (%)	18.9 / 24.2

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase (pdb code 3pxw). 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase


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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:20.9 occ:1.00 O A:HOH384 2.3 15.8 1.0 O A:PRO277 2.3 21.1 1.0 OD1 A:ASN66 2.4 18.8 1.0 O A:HOH396 2.4 12.3 1.0 O A:THR275 2.4 19.9 1.0 O A:HOH418 2.6 18.8 1.0 O A:HOH395 2.6 11.7 1.0 CG A:ASN66 3.4 19.1 1.0 C A:PRO277 3.6 21.3 1.0 C A:THR275 3.6 20.1 1.0 ND2 A:ASN66 3.9 18.5 1.0 C A:GLY276 4.2 21.0 1.0 N A:PRO277 4.2 20.9 1.0 CA A:GLY276 4.3 20.5 1.0 O A:HOH376 4.4 18.8 1.0 CA A:TYR278 4.4 21.4 1.0 O A:THR67 4.4 19.7 1.0 N A:GLY276 4.4 20.4 1.0 N A:TYR278 4.5 21.4 1.0 CB A:THR275 4.5 19.9 1.0 CA A:PRO277 4.5 21.2 1.0 O A:GLY276 4.5 21.1 1.0 O2A A:HEC600 4.6 21.7 1.0 O1A A:HEC600 4.6 20.9 1.0 O A:HOH508 4.6 18.6 1.0 CB A:ASN66 4.6 19.2 1.0 OG1 A:THR275 4.7 19.1 1.0 CA A:THR275 4.7 19.9 1.0 CD2 A:TYR278 4.8 23.2 1.0 CD A:PRO277 4.8 21.3 1.0 CGA A:HEC600 4.9 20.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase


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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:21.3 occ:1.00 O B:HOH417 2.3 13.7 1.0 O B:HOH466 2.3 18.2 1.0 O B:THR275 2.4 21.7 1.0 O B:PRO277 2.4 20.0 1.0 O B:HOH525 2.5 9.0 1.0 OD1 B:ASN66 2.6 20.6 1.0 O B:HOH505 2.6 27.4 1.0 C B:THR275 3.6 21.6 1.0 C B:PRO277 3.6 20.3 1.0 CG B:ASN66 3.6 21.0 1.0 O B:HOH396 4.1 20.8 1.0 ND2 B:ASN66 4.1 21.5 1.0 C B:GLY276 4.3 21.5 1.0 CB B:THR275 4.3 21.1 1.0 N B:PRO277 4.4 21.1 1.0 CA B:TYR278 4.4 19.9 1.0 OG1 B:THR275 4.4 21.0 1.0 CA B:GLY276 4.4 21.6 1.0 O B:THR67 4.4 21.7 1.0 N B:TYR278 4.5 20.1 1.0 N B:GLY276 4.5 21.8 1.0 O1A B:HEC600 4.5 19.4 1.0 CA B:THR275 4.6 21.5 1.0 O2A B:HEC600 4.6 20.2 1.0 O B:GLY276 4.6 21.8 1.0 CA B:PRO277 4.6 20.8 1.0 CD2 B:TYR278 4.7 19.4 1.0 O B:HOH524 4.8 20.5 1.0 CB B:ASN66 4.9 21.4 1.0 O B:HOH423 4.9 17.3 1.0 CGA B:HEC600 4.9 19.3 1.0

E.T.Yukl, B.R.Goblirsch, V.L.Davidson, C.M.Wilmot. Crystal Structures of Co and No Adducts of Maug in Complex with Pre-Methylamine Dehydrogenase: Implications For the Mechanism of Dioxygen Activation. Biochemistry V. 50 2931 2011.
ISSN: ISSN 0006-2960
PubMed: 21355604
DOI: 10.1021/BI200023N