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Calcium in PDB 3sws: Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug

Enzymatic activity of Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug

All present enzymatic activity of Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug:
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug, PDB code: 3sws was solved by L.M.R.Jensen, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.12 / 1.86
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.222, 99.422, 102.832, 64.77, 74.77, 75.14
R / Rfree (%) 13.6 / 17.8

Other elements in 3sws:

The structure of Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Sodium (Na) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug (pdb code 3sws). 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 the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug, PDB code: 3sws:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3sws

Go back to Calcium Binding Sites List in 3sws
Calcium binding site 1 out of 2 in the Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug


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 the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca400

b:19.7
occ:1.00
 O A:HOH396 2.3 11.0 1.0
O A:THR275 2.3 17.6 1.0
O A:PRO277 2.4 16.5 1.0
O A:HOH380 2.4 14.1 1.0
OD1 A:ASN66 2.4 18.9 1.0
O A:HOH387 2.4 13.2 1.0
O A:HOH378 2.6 15.1 1.0
CG A:ASN66 3.5 19.8 1.0
C A:THR275 3.6 17.1 1.0
C A:PRO277 3.6 18.1 1.0
ND2 A:ASN66 4.0 18.6 1.0
C A:GLY276 4.1 19.8 1.0
N A:PRO277 4.3 17.9 1.0
CB A:THR275 4.3 18.0 1.0
O A:HOH425 4.3 14.7 1.0
CA A:GLY276 4.4 17.8 1.0
O A:GLY276 4.4 22.3 1.0
O A:THR67 4.4 18.3 1.0
N A:GLY276 4.4 17.6 1.0
CA A:TYR278 4.4 16.8 1.0
OG1 A:THR275 4.4 17.6 1.0
N A:TYR278 4.5 18.0 1.0
CA A:PRO277 4.6 17.6 1.0
O1A A:HEC600 4.6 17.1 1.0
CA A:THR275 4.6 18.7 1.0
O A:HOH398 4.6 15.2 1.0
O2A A:HEC600 4.7 20.1 1.0
CB A:ASN66 4.8 19.9 1.0
CD2 A:TYR278 4.8 16.9 1.0
CD A:PRO277 5.0 18.7 1.0
O A:HOH456 5.0 20.6 1.0

Calcium binding site 2 out of 2 in 3sws

Go back to Calcium Binding Sites List in 3sws
Calcium binding site 2 out of 2 in the Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug


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 the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca400

b:15.4
occ:1.00
 O B:HOH383 2.3 13.1 1.0
OD1 B:ASN66 2.4 17.1 1.0
O B:THR275 2.4 16.2 1.0
O B:PRO277 2.4 16.1 1.0
O B:HOH443 2.4 12.1 1.0
O B:HOH417 2.5 12.6 1.0
O B:HOH399 2.5 14.7 1.0
CG B:ASN66 3.5 16.9 1.0
C B:THR275 3.6 16.9 1.0
C B:PRO277 3.6 15.9 1.0
ND2 B:ASN66 4.0 14.5 1.0
C B:GLY276 4.1 15.4 1.0
N B:PRO277 4.2 16.3 1.0
CB B:THR275 4.3 16.4 1.0
O B:THR67 4.3 15.6 1.0
CA B:GLY276 4.3 16.9 1.0
O B:HOH439 4.3 13.7 1.0
CA B:TYR278 4.4 14.9 1.0
O B:GLY276 4.4 16.8 1.0
OG1 B:THR275 4.4 15.4 1.0
N B:TYR278 4.4 14.8 1.0
N B:GLY276 4.4 17.1 1.0
O B:HOH475 4.5 12.6 1.0
CA B:THR275 4.6 16.0 1.0
CA B:PRO277 4.6 15.1 1.0
O1A B:HEC600 4.7 16.7 1.0
CB B:ASN66 4.8 12.5 1.0
CD B:PRO277 4.8 15.8 1.0
O2A B:HEC600 4.8 14.2 1.0
CD2 B:TYR278 4.9 18.8 1.0
O B:HOH423 4.9 21.6 1.0

Reference:

L.M.R.Jensen, C.M.Wilmot. Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of Maug To Be Published.
Page generated: Tue Jul 8 16:47:14 2025

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