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Iron in PDB 1ids: X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions

Enzymatic activity of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions

All present enzymatic activity of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions:
1.15.1.1;

Protein crystallography data

The structure of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions, PDB code: 1ids was solved by J.B.Cooper, K.Mcintyre, S.P.Wood, Y.Zhang, D.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.650, 85.400, 66.350, 90.00, 99.86, 90.00
R / Rfree (%) n/a / n/a

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions (pdb code 1ids). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions, PDB code: 1ids:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1ids

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Iron binding site 1 out of 4 in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe208

b:0.1
occ:1.00
 OD2 A:ASP160 2.0 0.1 1.0
NE2 A:HIS76 2.2 0.0 1.0
NE2 A:HIS164 2.2 0.1 1.0
NE2 A:HIS28 2.2 0.1 1.0
O A:HOH1001 2.4 0.2 1.0
CG A:ASP160 3.0 0.1 1.0
CE1 A:HIS76 3.1 0.1 1.0
CE1 A:HIS164 3.1 0.1 1.0
CE1 A:HIS28 3.2 0.1 1.0
CD2 A:HIS28 3.3 0.1 1.0
CD2 A:HIS76 3.3 0.2 1.0
CD2 A:HIS164 3.3 0.2 1.0
OD1 A:ASP160 3.4 0.2 1.0
ND1 A:HIS76 4.3 0.2 1.0
CB A:ASP160 4.3 0.1 1.0
ND1 A:HIS164 4.3 0.1 1.0
CZ2 A:TRP125 4.4 0.1 1.0
ND1 A:HIS28 4.4 0.1 1.0
CG A:HIS76 4.4 0.1 1.0
CG A:HIS28 4.4 0.0 1.0
CG A:HIS164 4.4 0.1 1.0
CB A:TRP162 4.4 0.2 1.0
CH2 A:TRP125 4.6 0.0 1.0
CG A:TRP162 4.7 0.1 1.0
CB A:ALA165 4.9 0.1 1.0
CE1 A:HIS145 5.0 0.0 1.0

Iron binding site 2 out of 4 in 1ids

Go back to Iron Binding Sites List in 1ids
Iron binding site 2 out of 4 in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe208

b:0.1
occ:1.00
 OD2 B:ASP160 2.0 0.2 1.0
NE2 B:HIS76 2.1 0.1 1.0
NE2 B:HIS28 2.2 0.1 1.0
O B:HOH1002 2.3 0.1 1.0
NE2 B:HIS164 2.3 0.1 1.0
CE1 B:HIS76 3.1 0.2 1.0
CG B:ASP160 3.1 0.2 1.0
CD2 B:HIS76 3.2 0.0 1.0
CE1 B:HIS28 3.2 0.1 1.0
CE1 B:HIS164 3.3 0.0 1.0
CD2 B:HIS28 3.3 0.1 1.0
CD2 B:HIS164 3.4 0.3 1.0
OD1 B:ASP160 3.4 0.3 1.0
ND1 B:HIS76 4.2 0.1 1.0
CG B:HIS76 4.3 0.1 1.0
CB B:ASP160 4.4 0.1 1.0
ND1 B:HIS28 4.4 0.1 1.0
CZ2 B:TRP125 4.4 0.2 1.0
CG B:HIS28 4.4 0.0 1.0
CH2 B:TRP125 4.4 0.3 1.0
ND1 B:HIS164 4.5 0.1 1.0
CG B:HIS164 4.5 0.1 1.0
CB B:TRP162 4.7 0.1 1.0
CB B:ALA165 4.8 0.1 1.0
CG B:TRP162 4.9 0.1 1.0

Iron binding site 3 out of 4 in 1ids

Go back to Iron Binding Sites List in 1ids
Iron binding site 3 out of 4 in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe208

b:0.1
occ:1.00
 OD2 C:ASP160 2.0 0.2 1.0
NE2 C:HIS76 2.1 0.2 1.0
NE2 C:HIS28 2.2 0.2 1.0
NE2 C:HIS164 2.3 0.2 1.0
O C:HOH1003 2.3 0.2 1.0
CE1 C:HIS76 3.1 0.2 1.0
CG C:ASP160 3.1 0.1 1.0
CE1 C:HIS28 3.1 0.1 1.0
CD2 C:HIS76 3.2 0.2 1.0
CD2 C:HIS28 3.2 0.1 1.0
CD2 C:HIS164 3.3 0.2 1.0
CE1 C:HIS164 3.3 0.2 1.0
OD1 C:ASP160 3.6 0.2 1.0
ND1 C:HIS76 4.3 0.1 1.0
ND1 C:HIS28 4.3 0.2 1.0
CG C:HIS76 4.3 0.3 1.0
CB C:ASP160 4.3 0.1 1.0
CG C:HIS28 4.4 0.1 1.0
CG C:HIS164 4.5 0.2 1.0
ND1 C:HIS164 4.5 0.2 1.0
CB C:TRP162 4.5 0.0 1.0
CZ2 C:TRP125 4.6 0.1 1.0
CH2 C:TRP125 4.6 0.3 1.0
CG C:TRP162 4.7 0.3 1.0
CB C:ALA165 4.9 0.2 1.0

Iron binding site 4 out of 4 in 1ids

Go back to Iron Binding Sites List in 1ids
Iron binding site 4 out of 4 in the X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolutions Reveals Novel Dimer-Dimer Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe208

b:0.1
occ:1.00
 OD2 D:ASP160 2.0 0.1 1.0
O D:HOH1004 2.2 0.2 1.0
NE2 D:HIS164 2.2 0.1 1.0
NE2 D:HIS28 2.3 0.2 1.0
NE2 D:HIS76 2.4 0.2 1.0
CG D:ASP160 3.1 0.0 1.0
CE1 D:HIS164 3.1 0.5 1.0
CD2 D:HIS76 3.2 0.1 1.0
CD2 D:HIS28 3.3 0.1 1.0
CD2 D:HIS164 3.3 0.1 1.0
CE1 D:HIS28 3.4 0.1 1.0
OD1 D:ASP160 3.4 0.2 1.0
CE1 D:HIS76 3.6 0.1 1.0
ND1 D:HIS164 4.3 0.3 1.0
CB D:ASP160 4.4 0.1 1.0
CG D:HIS164 4.4 0.1 1.0
CG D:HIS28 4.5 0.1 1.0
CH2 D:TRP125 4.5 0.0 1.0
CG D:HIS76 4.5 0.0 1.0
ND1 D:HIS28 4.5 0.1 1.0
CZ2 D:TRP125 4.5 0.0 1.0
CB D:TRP162 4.5 0.1 1.0
ND1 D:HIS76 4.6 0.2 1.0
CG D:TRP162 4.8 0.2 1.0
CB D:ALA165 4.9 0.1 1.0
CE1 D:HIS145 5.0 0.1 1.0

Reference:

J.B.Cooper, K.Mcintyre, M.O.Badasso, S.P.Wood, Y.Zhang, T.R.Garbe, D.Young. X-Ray Structure Analysis of the Iron-Dependent Superoxide Dismutase From Mycobacterium Tuberculosis at 2.0 Angstroms Resolution Reveals Novel Dimer-Dimer Interactions. J.Mol.Biol. V. 246 531 1995.
ISSN: ISSN 0022-2836
PubMed: 7877174
DOI: 10.1006/JMBI.1994.0105
Page generated: Sun Dec 13 14:18:30 2020

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