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Iron in PDB 4ac8: R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix

Enzymatic activity of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix

All present enzymatic activity of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix:
1.17.4.1;

Protein crystallography data

The structure of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix, PDB code: 4ac8 was solved by C.S.Andersson, C.L.Berthold, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.72 / 2.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 109.990, 210.850, 139.960, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 26.8

Other elements in 4ac8:

The structure of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix also contains other interesting chemical elements:

Manganese (Mn) 4 atoms
Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix (pdb code 4ac8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix, PDB code: 4ac8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4ac8

Go back to Iron Binding Sites List in 4ac8
Iron binding site 1 out of 4 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:25.1
occ:1.00
 OE2 A:GLU202 1.7 27.5 1.0
OE2 A:GLU101 2.0 17.8 1.0
OE2 A:GLU167 2.2 21.6 1.0
ND1 A:HIS205 2.3 18.4 1.0
CD A:GLU202 2.4 27.9 1.0
OE1 A:GLU202 2.5 28.0 1.0
O2 A:MYR600 2.8 22.2 1.0
CD A:GLU101 3.0 17.1 1.0
MN A:MN501 3.1 18.0 1.0
CE1 A:HIS205 3.2 18.0 1.0
CD A:GLU167 3.2 21.9 1.0
O1 A:MYR600 3.2 21.8 1.0
OE1 A:GLU101 3.3 16.8 1.0
C1 A:MYR600 3.4 21.4 1.0
CG A:HIS205 3.4 18.4 1.0
CG A:GLU167 3.7 20.9 1.0
CB A:HIS205 3.8 18.6 1.0
CG A:GLU202 3.9 26.7 1.0
OE1 A:GLU167 4.2 21.9 1.0
CG A:GLU101 4.3 16.8 1.0
CE1 A:PHE97 4.3 17.3 1.0
NE2 A:HIS205 4.4 18.3 1.0
CZ A:PHE97 4.5 17.6 1.0
CD2 A:HIS205 4.5 18.3 1.0
CB A:GLU167 4.6 20.0 1.0
CE1 A:TYR162 4.7 18.6 1.0
CE1 A:HIS104 4.7 19.4 1.0
CA A:GLU202 4.7 24.6 1.0
C2 A:MYR600 4.8 20.9 1.0
ND1 A:HIS104 4.8 19.7 1.0
OE1 A:GLU68 4.8 17.2 1.0
CB A:GLU202 4.9 25.0 1.0
CG2 A:VAL71 4.9 18.9 1.0

Iron binding site 2 out of 4 in 4ac8

Go back to Iron Binding Sites List in 4ac8
Iron binding site 2 out of 4 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:28.8
occ:1.00
 OE2 B:GLU202 2.0 30.6 1.0
OE2 B:GLU101 2.1 18.2 1.0
OE2 B:GLU167 2.2 22.3 1.0
O1 B:MYR600 2.6 32.3 1.0
CD B:GLU202 2.7 30.7 1.0
ND1 B:HIS205 2.7 20.2 1.0
OE1 B:GLU202 2.8 32.0 1.0
CD B:GLU101 3.0 17.5 1.0
MN B:MN501 3.1 18.6 1.0
O2 B:MYR600 3.2 32.8 1.0
OE1 B:GLU101 3.2 17.0 1.0
C1 B:MYR600 3.2 31.7 1.0
CD B:GLU167 3.2 21.8 1.0
CE1 B:HIS205 3.5 20.5 1.0
CG B:GLU167 3.7 21.3 1.0
CG B:HIS205 3.8 20.3 1.0
CG B:GLU202 4.1 29.3 1.0
CB B:HIS205 4.2 20.3 1.0
OE1 B:GLU167 4.3 21.1 1.0
CG B:GLU101 4.4 17.3 1.0
CE1 B:PHE97 4.6 17.7 1.0
C2 B:MYR600 4.6 30.9 1.0
CE1 B:TYR162 4.7 19.4 1.0
CB B:GLU167 4.7 21.0 1.0
NE2 B:HIS205 4.8 20.2 1.0
ND1 B:HIS104 4.8 19.2 1.0
CZ B:PHE97 4.8 17.9 1.0
CG2 B:VAL71 4.9 17.7 1.0
OE1 B:GLU68 4.9 19.8 1.0
CE1 B:HIS104 4.9 18.9 1.0
CD2 B:HIS205 4.9 20.2 1.0
CA B:GLU202 5.0 25.1 1.0

Iron binding site 3 out of 4 in 4ac8

Go back to Iron Binding Sites List in 4ac8
Iron binding site 3 out of 4 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe500

b:33.8
occ:1.00
 OE2 C:GLU202 1.7 42.0 1.0
OE2 C:GLU167 2.2 29.9 1.0
OE2 C:GLU101 2.2 37.9 1.0
CD C:GLU202 2.5 42.1 1.0
O2 C:MYR600 2.5 31.3 1.0
ND1 C:HIS205 2.6 27.3 1.0
OE1 C:GLU202 2.7 42.1 1.0
CD C:GLU101 3.1 33.9 1.0
CD C:GLU167 3.1 29.1 1.0
MN C:MN501 3.3 31.7 1.0
C1 C:MYR600 3.3 32.7 1.0
OE1 C:GLU101 3.3 32.3 1.0
CE1 C:HIS205 3.3 27.2 1.0
O1 C:MYR600 3.4 33.2 1.0
CG C:GLU167 3.5 28.2 1.0
CG C:HIS205 3.6 27.0 1.0
CG C:GLU202 3.9 40.2 1.0
CB C:HIS205 4.0 26.0 1.0
OE1 C:GLU167 4.2 28.7 1.0
CE1 C:PHE97 4.4 29.8 1.0
CG C:GLU101 4.5 32.0 1.0
NE2 C:HIS205 4.5 27.2 1.0
CB C:GLU167 4.5 27.9 1.0
CE1 C:TYR162 4.6 27.4 1.0
CZ C:PHE97 4.6 29.6 1.0
CD2 C:HIS205 4.7 27.1 1.0
C2 C:MYR600 4.7 32.5 1.0
CA C:GLU202 4.7 33.4 1.0
CB C:GLU202 4.8 36.3 1.0
CG2 C:VAL71 4.9 26.4 1.0

Iron binding site 4 out of 4 in 4ac8

Go back to Iron Binding Sites List in 4ac8
Iron binding site 4 out of 4 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe500

b:31.7
occ:1.00
 OE2 D:GLU202 1.7 39.8 1.0
O1 D:MYR600 2.2 32.4 1.0
OE2 D:GLU167 2.2 32.4 1.0
OE2 D:GLU101 2.3 28.0 1.0
ND1 D:HIS205 2.4 26.1 1.0
CD D:GLU202 2.6 38.4 1.0
OE1 D:GLU202 2.9 38.0 1.0
CD D:GLU101 3.1 25.9 1.0
MN D:MN501 3.1 29.7 1.0
C1 D:MYR600 3.1 33.0 1.0
CE1 D:HIS205 3.1 26.4 1.0
OE1 D:GLU101 3.2 25.2 1.0
CD D:GLU167 3.2 32.6 1.0
O2 D:MYR600 3.3 31.7 1.0
CG D:HIS205 3.5 25.9 1.0
CG D:GLU167 3.7 31.4 1.0
CB D:HIS205 4.0 25.3 1.0
CG D:GLU202 4.0 37.4 1.0
OE1 D:GLU167 4.3 32.9 1.0
NE2 D:HIS205 4.3 26.2 1.0
CG D:GLU101 4.5 24.6 1.0
C2 D:MYR600 4.5 33.0 1.0
CE1 D:PHE97 4.5 22.8 1.0
CD2 D:HIS205 4.5 26.4 1.0
CZ D:PHE97 4.6 22.8 1.0
CE1 D:TYR162 4.7 25.1 1.0
CA D:GLU202 4.7 31.7 1.0
CG2 D:VAL71 4.8 25.1 1.0
OE1 D:GLU68 4.9 28.1 1.0
CB D:GLU167 4.9 29.5 1.0
CE1 D:HIS104 4.9 22.0 1.0
ND1 D:HIS104 4.9 21.8 1.0
CB D:GLU202 4.9 33.8 1.0

Reference:

C.S.Andersson, C.L.Berthold, M.Hogbom. A Dynamic C-Terminal Segment in the Mycobacterium Tuberculosis Mn/Fe R2LOX Protein Can Adopt A Helical Structure with Possible Functional Consequences. Chem.Biodivers. V. 9 1981 2012.
ISSN: ISSN 1612-1872
PubMed: 22976985
DOI: 10.1002/CBDV.201100428
Page generated: Sun Dec 13 15:27:57 2020

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