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Manganese 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:

Iron (Fe) 4 atoms
Calcium (Ca) 2 atoms

Manganese Binding Sites:

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

Manganese binding site 1 out of 4 in 4ac8

Go back to Manganese Binding Sites List in 4ac8
Manganese 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 Manganese with other atoms in the Mn 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:Mn501

b:18.0
occ:1.00
 OE1 A:GLU68 2.1 17.2 1.0
OE1 A:GLU101 2.2 16.8 1.0
O1 A:MYR600 2.2 21.8 1.0
ND1 A:HIS104 2.3 19.7 1.0
OE1 A:GLU202 2.6 28.0 1.0
CD A:GLU68 2.8 17.5 1.0
OE2 A:GLU68 2.9 17.5 1.0
CE1 A:HIS104 3.0 19.4 1.0
CD A:GLU101 3.1 17.1 1.0
FE A:FE500 3.1 25.1 1.0
C1 A:MYR600 3.3 21.4 1.0
OE2 A:GLU101 3.4 17.8 1.0
CG A:HIS104 3.4 19.8 1.0
CD A:GLU202 3.6 27.9 1.0
O2 A:MYR600 3.7 22.2 1.0
CB A:HIS104 4.0 19.7 1.0
OE2 A:GLU202 4.0 27.5 1.0
NE2 A:HIS104 4.2 19.3 1.0
CG A:GLU68 4.3 17.7 1.0
CD2 A:HIS104 4.5 19.7 1.0
CE1 A:HIS205 4.5 18.0 1.0
CG A:GLU101 4.5 16.8 1.0
ND1 A:HIS205 4.5 18.4 1.0
C2 A:MYR600 4.5 20.9 1.0
CG A:GLU202 4.7 26.7 1.0
OH A:TYR175 4.8 22.2 1.0
CA A:GLU101 4.8 16.2 1.0
C3 A:MYR600 4.8 20.6 1.0
CB A:GLU68 4.8 18.3 1.0
CG2 A:VAL71 4.9 18.9 1.0
CB A:GLU101 4.9 16.6 1.0

Manganese binding site 2 out of 4 in 4ac8

Go back to Manganese Binding Sites List in 4ac8
Manganese 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 Manganese with other atoms in the Mn 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:Mn501

b:18.6
occ:1.00
 OE1 B:GLU68 2.0 19.8 1.0
O2 B:MYR600 2.2 32.8 1.0
OE1 B:GLU101 2.2 17.0 1.0
ND1 B:HIS104 2.5 19.2 1.0
CD B:GLU68 2.8 19.8 1.0
OE2 B:GLU68 2.9 20.3 1.0
OE1 B:GLU202 3.0 32.0 1.0
FE B:FE500 3.1 28.8 1.0
C1 B:MYR600 3.3 31.7 1.0
CD B:GLU101 3.3 17.5 1.0
CE1 B:HIS104 3.3 18.9 1.0
CG B:HIS104 3.5 19.3 1.0
OE2 B:GLU101 3.6 18.2 1.0
O1 B:MYR600 3.6 32.3 1.0
CB B:HIS104 3.9 19.5 1.0
CD B:GLU202 4.0 30.7 1.0
OE2 B:GLU202 4.3 30.6 1.0
CG B:GLU68 4.3 19.4 1.0
NE2 B:HIS104 4.5 19.5 1.0
C2 B:MYR600 4.6 30.9 1.0
CG B:GLU101 4.6 17.3 1.0
CD2 B:HIS104 4.6 19.3 1.0
CA B:GLU101 4.7 17.3 1.0
CB B:GLU68 4.8 19.2 1.0
CG2 B:VAL71 4.8 17.7 1.0
C3 B:MYR600 4.9 30.1 1.0
CB B:GLU101 4.9 17.4 1.0
OH B:TYR175 4.9 21.4 1.0
ND1 B:HIS205 5.0 20.2 1.0
CE1 B:HIS205 5.0 20.5 1.0

Manganese binding site 3 out of 4 in 4ac8

Go back to Manganese Binding Sites List in 4ac8
Manganese 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 Manganese with other atoms in the Mn 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:Mn501

b:31.7
occ:1.00
 O1 C:MYR600 2.1 33.2 1.0
OE1 C:GLU101 2.1 32.3 1.0
OE1 C:GLU68 2.3 29.6 1.0
ND1 C:HIS104 2.4 24.1 1.0
OE1 C:GLU202 2.5 42.1 1.0
CD C:GLU68 3.1 29.0 1.0
OE2 C:GLU68 3.1 29.3 1.0
CD C:GLU101 3.1 33.9 1.0
C1 C:MYR600 3.1 32.7 1.0
CE1 C:HIS104 3.1 24.0 1.0
FE C:FE500 3.3 33.8 1.0
OE2 C:GLU101 3.5 37.9 1.0
CG C:HIS104 3.5 24.4 1.0
CD C:GLU202 3.6 42.1 1.0
O2 C:MYR600 3.6 31.3 1.0
OE2 C:GLU202 4.0 42.0 1.0
CB C:HIS104 4.0 24.6 1.0
C2 C:MYR600 4.4 32.5 1.0
NE2 C:HIS104 4.4 24.1 1.0
CG C:GLU101 4.5 32.0 1.0
CA C:GLU101 4.5 28.6 1.0
CG C:GLU68 4.5 28.5 1.0
CE1 C:HIS205 4.6 27.2 1.0
CD2 C:HIS104 4.6 24.2 1.0
CG2 C:VAL71 4.6 26.4 1.0
ND1 C:HIS205 4.7 27.3 1.0
CB C:GLU101 4.8 30.5 1.0
CG C:GLU202 4.9 40.2 1.0

Manganese binding site 4 out of 4 in 4ac8

Go back to Manganese Binding Sites List in 4ac8
Manganese 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 Manganese with other atoms in the Mn 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:Mn501

b:29.7
occ:1.00
 OE1 D:GLU101 2.1 25.2 1.0
O2 D:MYR600 2.1 31.7 1.0
OE1 D:GLU68 2.2 28.1 1.0
ND1 D:HIS104 2.3 21.8 1.0
OE1 D:GLU202 2.7 38.0 1.0
CD D:GLU68 3.0 27.7 1.0
OE2 D:GLU68 3.0 28.5 1.0
C1 D:MYR600 3.0 33.0 1.0
FE D:FE500 3.1 31.7 1.0
CE1 D:HIS104 3.1 22.0 1.0
CD D:GLU101 3.1 25.9 1.0
O1 D:MYR600 3.3 32.4 1.0
CG D:HIS104 3.5 22.1 1.0
OE2 D:GLU101 3.5 28.0 1.0
CD D:GLU202 3.7 38.4 1.0
OE2 D:GLU202 3.9 39.8 1.0
CB D:HIS104 4.0 22.3 1.0
NE2 D:HIS104 4.3 21.9 1.0
C2 D:MYR600 4.4 33.0 1.0
CA D:GLU101 4.4 24.2 1.0
CG D:GLU101 4.4 24.6 1.0
CG D:GLU68 4.5 26.7 1.0
CD2 D:HIS104 4.5 22.0 1.0
CE1 D:HIS205 4.5 26.4 1.0
ND1 D:HIS205 4.7 26.1 1.0
CB D:GLU101 4.7 24.4 1.0
CG2 D:VAL71 4.7 25.1 1.0
C3 D:MYR600 4.9 33.7 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: Sat Oct 5 18:44:13 2024

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