Atomistry » Manganese » PDB 3x30-4b5h » 4ac8
Atomistry »
  Manganese »
    PDB 3x30-4b5h »
      4ac8 »

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

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy