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Iron in PDB 3l4o: Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide

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

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

Protein crystallography data

The structure of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3l4o 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) 38.20 / 2.05
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.527, 83.524, 107.782, 109.94, 91.54, 105.78
R / Rfree (%) 14.2 / 19.4

Other elements in 3l4o:

The structure of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide (pdb code 3l4o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide, PDB code: 3l4o:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3l4o

Go back to Iron Binding Sites List in 3l4o
Iron binding site 1 out of 4 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:28.6
occ:1.00
 FE A:HEC500 0.0 28.6 1.0
NB A:HEC500 2.0 25.6 1.0
NA A:HEC500 2.1 28.6 1.0
ND A:HEC500 2.1 28.4 1.0
NC A:HEC500 2.1 26.7 1.0
NE2 A:HIS35 2.2 24.4 1.0
C4B A:HEC500 3.0 27.1 1.0
C1A A:HEC500 3.1 25.9 1.0
C4D A:HEC500 3.1 28.4 1.0
C1C A:HEC500 3.1 24.6 1.0
C1B A:HEC500 3.1 28.5 1.0
CD2 A:HIS35 3.1 20.5 1.0
O A:HOH1174 3.1 38.4 1.0
C4A A:HEC500 3.1 27.5 1.0
C1D A:HEC500 3.1 26.6 1.0
C4C A:HEC500 3.1 28.2 1.0
CE1 A:HIS35 3.2 20.4 1.0
CHC A:HEC500 3.4 23.2 1.0
CHA A:HEC500 3.4 26.7 1.0
CHB A:HEC500 3.5 23.6 1.0
CHD A:HEC500 3.5 27.9 1.0
NE2 A:GLN103 4.1 18.1 1.0
ND1 A:HIS35 4.3 21.2 1.0
CG A:HIS35 4.3 18.7 1.0
C3B A:HEC500 4.4 25.6 1.0
C3D A:HEC500 4.4 28.1 1.0
C2A A:HEC500 4.4 28.1 1.0
C2B A:HEC500 4.4 25.8 1.0
C2D A:HEC500 4.4 25.9 1.0
C2C A:HEC500 4.4 27.9 1.0
C3A A:HEC500 4.4 24.2 1.0
C3C A:HEC500 4.5 29.6 1.0
CG A:PRO107 4.5 22.4 1.0
CB A:PRO107 4.9 21.7 1.0
CG2 A:THR67 4.9 19.2 1.0

Iron binding site 2 out of 4 in 3l4o

Go back to Iron Binding Sites List in 3l4o
Iron binding site 2 out of 4 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:26.5
occ:1.00
 FE A:HEC600 0.0 26.5 1.0
OH A:TYR294 2.0 18.9 1.0
NB A:HEC600 2.0 25.8 1.0
ND A:HEC600 2.0 24.8 1.0
NE2 A:HIS205 2.1 15.6 1.0
NA A:HEC600 2.1 27.6 1.0
NC A:HEC600 2.1 27.8 1.0
CZ A:TYR294 3.0 17.8 1.0
C4B A:HEC600 3.0 27.6 1.0
C1B A:HEC600 3.0 29.1 1.0
C4D A:HEC600 3.0 28.4 1.0
CD2 A:HIS205 3.0 16.7 1.0
C1D A:HEC600 3.0 27.4 1.0
C4A A:HEC600 3.1 26.1 1.0
C1C A:HEC600 3.1 25.8 1.0
C1A A:HEC600 3.1 26.6 1.0
C4C A:HEC600 3.1 26.1 1.0
CE1 A:HIS205 3.1 15.2 1.0
CHB A:HEC600 3.3 28.2 1.0
CHC A:HEC600 3.4 25.9 1.0
CHD A:HEC600 3.4 23.3 1.0
CHA A:HEC600 3.5 22.4 1.0
CE2 A:TYR294 3.7 20.0 1.0
CE1 A:TYR294 3.8 16.1 1.0
ND1 A:HIS205 4.2 16.3 1.0
CG A:HIS205 4.2 17.5 1.0
C3B A:HEC600 4.3 26.0 1.0
C2B A:HEC600 4.3 30.2 1.0
C2D A:HEC600 4.3 22.0 1.0
C3D A:HEC600 4.3 25.7 1.0
C3A A:HEC600 4.4 25.6 1.0
C2C A:HEC600 4.4 27.1 1.0
C2A A:HEC600 4.4 27.5 1.0
C3C A:HEC600 4.4 26.3 1.0
CD2 A:TYR294 5.0 19.9 1.0
CD1 A:TYR294 5.0 16.2 1.0

Iron binding site 3 out of 4 in 3l4o

Go back to Iron Binding Sites List in 3l4o
Iron binding site 3 out of 4 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:22.7
occ:1.00
 FE B:HEC500 0.0 22.7 1.0
NE2 B:HIS35 2.1 17.0 1.0
ND B:HEC500 2.1 23.1 1.0
NA B:HEC500 2.1 24.1 1.0
NB B:HEC500 2.1 22.1 1.0
NC B:HEC500 2.1 22.7 1.0
CE1 B:HIS35 3.0 18.1 1.0
C1A B:HEC500 3.1 21.9 1.0
C1D B:HEC500 3.1 22.2 1.0
CD2 B:HIS35 3.1 18.3 1.0
C4B B:HEC500 3.1 23.9 1.0
C1C B:HEC500 3.1 24.6 1.0
C4D B:HEC500 3.1 23.5 1.0
C4C B:HEC500 3.1 26.2 1.0
C4A B:HEC500 3.1 23.1 1.0
C1B B:HEC500 3.1 21.6 1.0
CHC B:HEC500 3.4 21.1 1.0
CHA B:HEC500 3.4 18.0 1.0
CHD B:HEC500 3.5 19.3 1.0
CHB B:HEC500 3.5 18.2 1.0
O B:HOH1175 4.0 34.9 1.0
NE2 B:GLN103 4.1 18.5 1.0
ND1 B:HIS35 4.2 20.9 1.0
CG B:HIS35 4.2 18.0 1.0
C2D B:HEC500 4.4 24.0 1.0
C2A B:HEC500 4.4 23.0 1.0
C3D B:HEC500 4.4 24.6 1.0
C3B B:HEC500 4.4 22.6 1.0
CG B:PRO107 4.4 23.4 1.0
C3A B:HEC500 4.4 20.9 1.0
C2C B:HEC500 4.4 25.0 1.0
C3C B:HEC500 4.4 22.9 1.0
C2B B:HEC500 4.4 20.9 1.0
CB B:PRO107 4.9 22.3 1.0

Iron binding site 4 out of 4 in 3l4o

Go back to Iron Binding Sites List in 3l4o
Iron binding site 4 out of 4 in the Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Maug/Pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe600

b:19.2
occ:1.00
 FE B:HEC600 0.0 19.2 1.0
OH B:TYR294 1.9 17.8 1.0
NC B:HEC600 2.0 19.7 1.0
ND B:HEC600 2.1 18.8 1.0
NA B:HEC600 2.1 22.1 1.0
NB B:HEC600 2.1 20.9 1.0
NE2 B:HIS205 2.1 14.8 1.0
CZ B:TYR294 2.9 18.1 1.0
CD2 B:HIS205 3.0 14.1 1.0
C1C B:HEC600 3.1 17.9 1.0
C4D B:HEC600 3.1 15.8 1.0
C1B B:HEC600 3.1 20.1 1.0
C1D B:HEC600 3.1 18.2 1.0
C4C B:HEC600 3.1 16.8 1.0
C4A B:HEC600 3.1 18.7 1.0
C1A B:HEC600 3.1 21.2 1.0
C4B B:HEC600 3.1 15.4 1.0
CE1 B:HIS205 3.1 16.0 1.0
CHB B:HEC600 3.4 16.4 1.0
CHA B:HEC600 3.4 17.1 1.0
CHC B:HEC600 3.4 13.8 1.0
CHD B:HEC600 3.4 17.4 1.0
CE1 B:TYR294 3.7 18.2 1.0
CE2 B:TYR294 3.8 17.0 1.0
CG B:HIS205 4.2 15.2 1.0
ND1 B:HIS205 4.2 12.7 1.0
C3D B:HEC600 4.3 17.0 1.0
C3C B:HEC600 4.3 15.0 1.0
C2C B:HEC600 4.3 18.0 1.0
C2D B:HEC600 4.4 17.2 1.0
C3A B:HEC600 4.4 19.7 1.0
C2A B:HEC600 4.4 19.9 1.0
C2B B:HEC600 4.4 20.7 1.0
C3B B:HEC600 4.4 18.7 1.0
CD1 B:TYR294 4.8 14.6 1.0
CD2 B:TYR294 5.0 17.1 1.0

Reference:

L.M.Jensen, R.Sanishvili, V.L.Davidson, C.M.Wilmot. In Crystallo Posttranslational Modification Within A Maug/Pre-Methylamine Dehydrogenase Complex. Science V. 327 1392 2010.
ISSN: ISSN 0036-8075
PubMed: 20223990
DOI: 10.1126/SCIENCE.1182492
Page generated: Sun Aug 4 14:05:17 2024

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