Calcium in PDB 3pxt: Crystal Structure of Ferrous Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase

All present enzymatic activity of Crystal Structure of Ferrous Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase:
1.4.99.3;

The structure of Crystal Structure of Ferrous Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxt 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 / 2.16
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 (%)	17.7 / 22.6

The structure of Crystal Structure of Ferrous Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase 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 Ferrous Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase (pdb code 3pxt). 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 Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Ferrous Co 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 Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:19.3 occ:1.00 O A:HOH398 2.3 12.7 1.0 O A:PRO277 2.4 24.1 1.0 OD1 A:ASN66 2.4 25.1 1.0 O A:THR275 2.4 23.0 1.0 O A:HOH406 2.5 13.3 1.0 O A:HOH430 2.5 10.5 1.0 O A:HOH408 2.6 16.2 1.0 CG A:ASN66 3.4 24.7 1.0 C A:PRO277 3.6 24.3 1.0 C A:THR275 3.6 23.2 1.0 ND2 A:ASN66 4.0 24.1 1.0 C A:GLY276 4.2 24.1 1.0 OG1 A:THR275 4.3 22.5 1.0 N A:PRO277 4.3 24.3 1.0 O A:THR67 4.3 22.6 1.0 CA A:GLY276 4.4 24.0 1.0 CB A:THR275 4.4 23.0 1.0 O A:HOH415 4.4 20.4 1.0 CA A:TYR278 4.4 24.0 1.0 N A:GLY276 4.5 23.5 1.0 N A:TYR278 4.5 24.4 1.0 O1A A:HEC600 4.5 25.2 1.0 CA A:PRO277 4.6 24.5 1.0 O A:GLY276 4.6 24.1 1.0 O A:HOH435 4.6 19.3 1.0 CA A:THR275 4.6 23.1 1.0 CB A:ASN66 4.7 24.5 1.0 CD2 A:TYR278 4.7 24.5 1.0 O2A A:HEC600 4.8 26.3 1.0 CD A:PRO277 4.8 24.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Ferrous Co 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 Co Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:19.5 occ:1.00 O B:HOH379 2.2 12.6 1.0 O B:PRO277 2.3 19.8 1.0 O B:THR275 2.4 22.2 1.0 O B:HOH402 2.4 8.2 1.0 O B:HOH461 2.5 14.9 1.0 O B:HOH405 2.5 22.1 1.0 OD1 B:ASN66 2.5 19.7 1.0 CG B:ASN66 3.5 21.4 1.0 C B:PRO277 3.6 20.2 1.0 C B:THR275 3.6 22.3 1.0 ND2 B:ASN66 4.1 21.0 1.0 C B:GLY276 4.2 22.0 1.0 O B:HOH394 4.3 16.5 1.0 CA B:GLY276 4.3 22.2 1.0 CA B:TYR278 4.3 19.0 1.0 N B:PRO277 4.3 21.7 1.0 O B:THR67 4.4 21.1 1.0 CB B:THR275 4.4 22.0 1.0 N B:TYR278 4.4 19.6 1.0 OG1 B:THR275 4.4 22.0 1.0 N B:GLY276 4.4 22.4 1.0 O B:GLY276 4.6 22.1 1.0 CA B:PRO277 4.6 21.0 1.0 O1A B:HEC600 4.6 22.7 1.0 CA B:THR275 4.6 22.1 1.0 O2A B:HEC600 4.7 22.3 1.0 O B:HOH493 4.7 24.8 1.0 CB B:ASN66 4.8 22.0 1.0 CD2 B:TYR278 4.8 19.9 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