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Calcium in PDB 4l3h: Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide

Enzymatic activity of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide

All present enzymatic activity of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide:
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 4l3h 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 / 1.79
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 (%) 15.4 / 19.8

Other elements in 4l3h:

The structure of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide 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 E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide (pdb code 4l3h). 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 E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 4l3h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4l3h

Go back to Calcium Binding Sites List in 4l3h
Calcium binding site 1 out of 2 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


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 E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:38.0
occ:1.00
 OD1 A:ASN66 2.0 34.0 1.0
O A:PRO277 2.3 38.9 1.0
O A:THR275 2.3 40.4 1.0
O A:HOH522 2.4 35.1 1.0
O A:HOH517 2.4 39.3 1.0
O A:HOH570 2.5 36.9 1.0
O A:HOH550 2.5 37.3 1.0
CG A:ASN66 3.1 39.4 1.0
C A:PRO277 3.5 41.7 1.0
C A:THR275 3.5 39.5 1.0
ND2 A:ASN66 3.7 41.9 1.0
C A:GLY276 4.0 42.0 1.0
N A:PRO277 4.2 43.5 1.0
CA A:GLY276 4.2 39.9 1.0
O A:THR67 4.3 35.5 1.0
O A:HOH675 4.3 36.5 1.0
N A:GLY276 4.3 38.7 1.0
O A:GLY276 4.3 46.4 1.0
CB A:THR275 4.3 39.0 1.0
CA A:TYR278 4.3 41.1 1.0
CB A:ASN66 4.4 41.1 1.0
N A:TYR278 4.4 42.1 1.0
OG1 A:THR275 4.5 36.6 1.0
CA A:PRO277 4.5 43.6 1.0
CA A:THR275 4.5 38.7 1.0
O A:HOH632 4.6 38.5 1.0
O1A A:HEC403 4.6 37.8 1.0
O2A A:HEC403 4.8 34.9 1.0
CD1 A:TYR278 4.8 42.0 1.0
CD A:PRO277 4.8 45.2 1.0

Calcium binding site 2 out of 2 in 4l3h

Go back to Calcium Binding Sites List in 4l3h
Calcium binding site 2 out of 2 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


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 E113Q-Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca401

b:23.8
occ:1.00
 OD1 B:ASN66 2.2 21.6 1.0
O B:PRO277 2.3 23.9 1.0
O B:HOH511 2.3 27.4 1.0
O B:THR275 2.4 25.2 1.0
O B:HOH513 2.4 25.8 1.0
O B:HOH517 2.5 21.9 1.0
O B:HOH501 2.5 27.5 1.0
CG B:ASN66 3.3 23.8 1.0
C B:PRO277 3.5 24.5 1.0
C B:THR275 3.6 25.8 1.0
ND2 B:ASN66 3.9 26.1 1.0
C B:GLY276 4.0 25.7 1.0
N B:PRO277 4.1 26.4 1.0
CA B:GLY276 4.2 26.7 1.0
O B:HOH581 4.2 30.8 1.0
O B:THR67 4.3 26.5 1.0
N B:GLY276 4.3 27.3 1.0
O B:GLY276 4.3 25.9 1.0
CB B:THR275 4.4 27.4 1.0
CA B:TYR278 4.4 24.6 1.0
N B:TYR278 4.4 24.1 1.0
O B:HOH506 4.4 27.5 1.0
CA B:PRO277 4.5 24.8 1.0
OG1 B:THR275 4.5 25.0 1.0
O1A B:HEC403 4.6 24.3 1.0
CB B:ASN66 4.6 24.4 1.0
CA B:THR275 4.6 26.7 1.0
CD B:PRO277 4.7 28.2 1.0
O2A B:HEC403 4.7 22.9 1.0
O B:HOH565 4.7 32.3 1.0
CD1 B:TYR278 4.8 25.1 1.0

Reference:

N.Abu Tarboush, E.T.Yukl, S.Shin, M.Feng, C.M.Wilmot, V.L.Davidson. Carboxyl Group of GLU113 Is Required For Stabilization of the Diferrous and Bis-Fe(IV) States of Maug. Biochemistry V. 52 6358 2013.
ISSN: ISSN 0006-2960
PubMed: 23952537
DOI: 10.1021/BI400905S
Page generated: Tue Jul 8 23:45:07 2025

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