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Iron 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:

Calcium (Ca) 2 atoms
Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron 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 Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3sws

Go back to Iron Binding Sites List in 3sws
Iron binding site 1 out of 4 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 Iron with other atoms in the Fe 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:Fe500

b:21.9
occ:1.00
FE A:HEC500 0.0 21.9 1.0
ND A:HEC500 2.1 22.2 1.0
NB A:HEC500 2.1 19.1 1.0
NA A:HEC500 2.1 21.5 1.0
NC A:HEC500 2.1 21.5 1.0
NE2 A:HIS35 2.1 20.6 1.0
O A:HOH2200 2.4 18.3 0.5
C1D A:HEC500 3.1 21.1 1.0
C1A A:HEC500 3.1 19.1 1.0
C1B A:HEC500 3.1 18.1 1.0
CD2 A:HIS35 3.1 20.3 1.0
C4D A:HEC500 3.1 17.6 1.0
C4B A:HEC500 3.1 18.1 1.0
C1C A:HEC500 3.1 19.6 1.0
C4C A:HEC500 3.1 18.4 1.0
C4A A:HEC500 3.1 21.2 1.0
CE1 A:HIS35 3.2 19.8 1.0
CHC A:HEC500 3.4 19.4 1.0
CHA A:HEC500 3.4 19.0 1.0
CHB A:HEC500 3.4 20.1 1.0
CHD A:HEC500 3.4 17.3 1.0
O A:HOH438 3.8 14.3 0.5
NE2 A:GLN103 4.1 22.0 1.0
CG A:HIS35 4.2 19.8 1.0
ND1 A:HIS35 4.3 18.3 1.0
C2D A:HEC500 4.3 18.3 1.0
C3D A:HEC500 4.3 16.5 1.0
C2B A:HEC500 4.4 18.0 1.0
C3B A:HEC500 4.4 15.7 1.0
C2A A:HEC500 4.4 17.5 1.0
C3C A:HEC500 4.4 20.6 1.0
C2C A:HEC500 4.4 18.7 1.0
C3A A:HEC500 4.4 18.5 1.0
CG A:PRO107 4.4 28.2 1.0
CB A:PRO107 5.0 28.6 1.0

Iron binding site 2 out of 4 in 3sws

Go back to Iron Binding Sites List in 3sws
Iron binding site 2 out of 4 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 Iron with other atoms in the Fe 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
A:Fe600

b:15.4
occ:1.00
FE A:HEC600 0.0 15.4 1.0
OH A:TYR294 1.9 15.0 1.0
ND A:HEC600 2.0 15.2 1.0
NE2 A:HIS205 2.1 13.8 1.0
NB A:HEC600 2.1 14.8 1.0
NC A:HEC600 2.1 15.7 1.0
NA A:HEC600 2.1 16.5 1.0
CZ A:TYR294 2.9 16.4 1.0
CD2 A:HIS205 3.0 13.8 1.0
C4D A:HEC600 3.0 14.0 1.0
C1D A:HEC600 3.0 13.0 1.0
C1B A:HEC600 3.1 13.2 1.0
C1C A:HEC600 3.1 10.5 1.0
CE1 A:HIS205 3.1 15.5 1.0
C1A A:HEC600 3.1 15.1 1.0
C4B A:HEC600 3.1 14.4 1.0
C4A A:HEC600 3.1 13.7 1.0
C4C A:HEC600 3.1 12.8 1.0
CHC A:HEC600 3.4 11.8 1.0
CHA A:HEC600 3.4 14.7 1.0
CHB A:HEC600 3.4 12.8 1.0
CHD A:HEC600 3.4 13.6 1.0
CE1 A:TYR294 3.6 14.5 1.0
CE2 A:TYR294 3.8 14.3 1.0
ND1 A:HIS205 4.2 14.0 1.0
CG A:HIS205 4.2 16.4 1.0
C3D A:HEC600 4.3 14.1 1.0
C2D A:HEC600 4.3 14.9 1.0
C2B A:HEC600 4.3 11.5 1.0
C2C A:HEC600 4.3 14.1 1.0
C3C A:HEC600 4.3 15.6 1.0
C3B A:HEC600 4.4 12.6 1.0
C3A A:HEC600 4.4 13.0 1.0
C2A A:HEC600 4.4 16.4 1.0
CD1 A:TYR294 4.9 13.1 1.0

Iron binding site 3 out of 4 in 3sws

Go back to Iron Binding Sites List in 3sws
Iron binding site 3 out of 4 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 Iron with other atoms in the Fe binding site number 3 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:Fe500

b:16.8
occ:1.00
FE B:HEC500 0.0 16.8 1.0
NB B:HEC500 2.0 16.2 1.0
ND B:HEC500 2.0 15.9 1.0
NA B:HEC500 2.1 18.5 1.0
NC B:HEC500 2.1 16.3 1.0
NE2 B:HIS35 2.1 13.7 1.0
O B:HOH407 2.3 8.2 0.5
C1D B:HEC500 3.0 16.0 1.0
C4B B:HEC500 3.0 15.8 1.0
C1B B:HEC500 3.1 15.4 1.0
C4A B:HEC500 3.1 15.6 1.0
C1C B:HEC500 3.1 14.1 1.0
C4D B:HEC500 3.1 13.3 1.0
CE1 B:HIS35 3.1 12.8 1.0
C4C B:HEC500 3.1 14.5 1.0
C1A B:HEC500 3.1 17.4 1.0
CD2 B:HIS35 3.1 15.6 1.0
CHD B:HEC500 3.4 17.1 1.0
CHC B:HEC500 3.4 13.7 1.0
CHB B:HEC500 3.5 16.7 1.0
CHA B:HEC500 3.5 15.3 1.0
O B:HOH2229 3.8 13.6 0.5
NE2 B:GLN103 4.2 18.0 1.0
ND1 B:HIS35 4.2 14.6 1.0
CG B:HIS35 4.2 15.9 1.0
C2D B:HEC500 4.3 16.6 1.0
C3B B:HEC500 4.3 14.6 1.0
C3D B:HEC500 4.3 15.2 1.0
C2B B:HEC500 4.3 13.4 1.0
C3C B:HEC500 4.4 15.5 1.0
C2C B:HEC500 4.4 13.2 1.0
C3A B:HEC500 4.4 17.9 1.0
CG B:PRO107 4.4 21.7 1.0
C2A B:HEC500 4.4 15.6 1.0
CB B:PRO107 5.0 19.9 1.0

Iron binding site 4 out of 4 in 3sws

Go back to Iron Binding Sites List in 3sws
Iron binding site 4 out of 4 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 Iron with other atoms in the Fe binding site number 4 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:Fe600

b:16.1
occ:1.00
FE B:HEC600 0.0 16.1 1.0
OH B:TYR294 2.0 14.3 1.0
NB B:HEC600 2.0 16.3 1.0
ND B:HEC600 2.0 14.8 1.0
NC B:HEC600 2.1 16.4 1.0
NA B:HEC600 2.1 17.6 1.0
NE2 B:HIS205 2.1 16.2 1.0
CZ B:TYR294 3.0 16.3 1.0
CD2 B:HIS205 3.0 13.3 1.0
C1B B:HEC600 3.0 16.5 1.0
C4B B:HEC600 3.0 16.4 1.0
C1C B:HEC600 3.0 17.0 1.0
C4A B:HEC600 3.0 17.2 1.0
C4D B:HEC600 3.1 16.7 1.0
C1D B:HEC600 3.1 15.7 1.0
C1A B:HEC600 3.1 13.8 1.0
C4C B:HEC600 3.1 17.5 1.0
CE1 B:HIS205 3.1 16.7 1.0
CHB B:HEC600 3.4 16.2 1.0
CHC B:HEC600 3.4 14.8 1.0
CHA B:HEC600 3.5 10.1 1.0
CHD B:HEC600 3.5 15.6 1.0
CE1 B:TYR294 3.7 14.0 1.0
CE2 B:TYR294 3.8 15.6 1.0
CG B:HIS205 4.2 15.3 1.0
ND1 B:HIS205 4.2 12.7 1.0
C3B B:HEC600 4.3 14.3 1.0
C2D B:HEC600 4.3 16.4 1.0
C2B B:HEC600 4.3 16.2 1.0
C3D B:HEC600 4.3 15.0 1.0
C2C B:HEC600 4.3 17.2 1.0
C2A B:HEC600 4.3 16.4 1.0
C3A B:HEC600 4.4 15.8 1.0
C3C B:HEC600 4.4 18.4 1.0
CD1 B:TYR294 4.9 17.1 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: Sun Aug 4 20:03:42 2024

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