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Iron in PDB 1b06: Superoxide Dismutase From Sulfolobus Acidocaldarius

Enzymatic activity of Superoxide Dismutase From Sulfolobus Acidocaldarius

All present enzymatic activity of Superoxide Dismutase From Sulfolobus Acidocaldarius:
1.15.1.1;

Protein crystallography data

The structure of Superoxide Dismutase From Sulfolobus Acidocaldarius, PDB code: 1b06 was solved by S.Knapp, S.Kardinahl, H.Niklas, G.Tibbelin, G.Schafer, R.Ladenstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 168.100, 91.300, 85.700, 90.00, 91.40, 90.00
R / Rfree (%) 17.4 / 22.3

Iron Binding Sites:

The binding sites of Iron atom in the Superoxide Dismutase From Sulfolobus Acidocaldarius (pdb code 1b06). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Superoxide Dismutase From Sulfolobus Acidocaldarius, PDB code: 1b06:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 1b06

Go back to Iron Binding Sites List in 1b06
Iron binding site 1 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe322

b:18.1
occ:1.00
 OD2 A:ASP170 1.9 17.8 1.0
O A:HOH377 2.1 15.2 1.0
NE2 A:HIS174 2.1 12.3 1.0
NE2 A:HIS84 2.2 15.0 1.0
NE2 A:HIS33 2.2 13.4 1.0
CG A:ASP170 3.0 9.6 1.0
CE1 A:HIS174 3.0 10.8 1.0
CE1 A:HIS84 3.0 16.8 1.0
CD2 A:HIS174 3.1 14.8 1.0
CE1 A:HIS33 3.2 14.4 1.0
CD2 A:HIS33 3.2 12.5 1.0
CD2 A:HIS84 3.3 14.0 1.0
OD1 A:ASP170 3.4 5.2 1.0
ND1 A:HIS174 4.1 11.4 1.0
ND1 A:HIS84 4.2 15.9 1.0
CB A:ASP170 4.2 9.9 1.0
CG A:HIS174 4.2 12.3 1.0
ND1 A:HIS33 4.3 11.2 1.0
CG A:HIS33 4.3 17.6 1.0
CG A:HIS84 4.3 10.4 1.0
CH2 A:TRP135 4.4 7.5 1.0
CZ2 A:TRP135 4.4 11.1 1.0
CB A:PHE172 4.5 13.0 1.0
CB A:ALA175 4.8 11.3 1.0
CG A:PHE172 4.9 14.7 1.0

Iron binding site 2 out of 6 in 1b06

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Iron binding site 2 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe323

b:17.4
occ:1.00
 OD2 B:ASP170 2.0 14.3 1.0
NE2 B:HIS84 2.0 14.0 1.0
O B:HOH368 2.1 13.6 1.0
NE2 B:HIS174 2.2 16.2 1.0
NE2 B:HIS33 2.3 14.2 1.0
CE1 B:HIS84 2.8 12.9 1.0
CG B:ASP170 3.0 18.4 1.0
CE1 B:HIS174 3.0 10.8 1.0
CD2 B:HIS84 3.2 8.4 1.0
CE1 B:HIS33 3.2 15.1 1.0
CD2 B:HIS33 3.2 12.8 1.0
CD2 B:HIS174 3.2 15.2 1.0
OD1 B:ASP170 3.4 16.9 1.0
ND1 B:HIS84 4.0 10.3 1.0
CG B:HIS84 4.2 12.5 1.0
ND1 B:HIS174 4.2 14.9 1.0
CB B:ASP170 4.3 15.4 1.0
ND1 B:HIS33 4.3 12.4 1.0
CG B:HIS174 4.3 16.6 1.0
CH2 B:TRP135 4.3 8.7 1.0
CG B:HIS33 4.4 11.4 1.0
CZ2 B:TRP135 4.4 10.1 1.0
CB B:PHE172 4.4 7.7 1.0
CG B:PHE172 4.8 13.3 1.0
CB B:ALA175 4.9 12.4 1.0

Iron binding site 3 out of 6 in 1b06

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Iron binding site 3 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe324

b:15.3
occ:1.00
 O C:HOH372 1.9 8.0 1.0
OD2 C:ASP170 1.9 9.2 1.0
NE2 C:HIS174 2.0 10.4 1.0
NE2 C:HIS33 2.2 8.2 1.0
NE2 C:HIS84 2.2 12.3 1.0
CE1 C:HIS174 2.9 11.6 1.0
CE1 C:HIS84 3.0 9.9 1.0
CG C:ASP170 3.0 11.3 1.0
CD2 C:HIS174 3.1 14.6 1.0
CE1 C:HIS33 3.1 9.6 1.0
CD2 C:HIS33 3.2 11.3 1.0
CD2 C:HIS84 3.3 8.3 1.0
OD1 C:ASP170 3.5 12.0 1.0
ND1 C:HIS174 4.1 11.8 1.0
ND1 C:HIS84 4.1 10.0 1.0
CG C:HIS174 4.2 12.5 1.0
ND1 C:HIS33 4.2 8.2 1.0
CB C:ASP170 4.3 14.4 1.0
CG C:HIS33 4.3 8.1 1.0
CG C:HIS84 4.3 11.0 1.0
CB C:PHE172 4.4 13.7 1.0
CH2 C:TRP135 4.4 5.1 1.0
CZ2 C:TRP135 4.5 7.0 1.0
CB C:ALA175 4.8 4.9 1.0
CG C:PHE172 4.9 17.3 1.0

Iron binding site 4 out of 6 in 1b06

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Iron binding site 4 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe325

b:15.7
occ:1.00
 OD2 D:ASP170 1.9 13.5 1.0
O D:HOH377 2.0 9.3 1.0
NE2 D:HIS174 2.1 10.1 1.0
NE2 D:HIS84 2.2 12.2 1.0
NE2 D:HIS33 2.3 8.2 1.0
CG D:ASP170 3.0 16.4 1.0
CE1 D:HIS174 3.0 10.4 1.0
CE1 D:HIS84 3.0 17.8 1.0
CD2 D:HIS174 3.2 7.8 1.0
CE1 D:HIS33 3.2 9.9 1.0
CD2 D:HIS84 3.2 11.5 1.0
CD2 D:HIS33 3.3 10.4 1.0
OD1 D:ASP170 3.4 11.0 1.0
ND1 D:HIS174 4.2 9.3 1.0
ND1 D:HIS84 4.2 16.1 1.0
CB D:ASP170 4.3 12.5 1.0
CG D:HIS174 4.3 13.0 1.0
ND1 D:HIS33 4.3 7.2 1.0
CG D:HIS84 4.3 13.7 1.0
CG D:HIS33 4.4 11.5 1.0
CH2 D:TRP135 4.4 10.6 1.0
CB D:PHE172 4.5 9.9 1.0
CZ2 D:TRP135 4.5 9.1 1.0
CB D:ALA175 4.9 11.9 1.0
CG D:PHE172 4.9 12.8 1.0

Iron binding site 5 out of 6 in 1b06

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Iron binding site 5 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe326

b:20.4
occ:1.00
 OD2 E:ASP170 2.0 12.9 1.0
O E:HOH379 2.0 18.9 1.0
NE2 E:HIS174 2.1 18.3 1.0
NE2 E:HIS84 2.1 11.3 1.0
NE2 E:HIS33 2.1 10.0 1.0
CE1 E:HIS174 3.0 15.3 1.0
CG E:ASP170 3.0 12.5 1.0
CE1 E:HIS84 3.0 12.6 1.0
CE1 E:HIS33 3.1 8.0 1.0
CD2 E:HIS174 3.1 21.5 1.0
CD2 E:HIS33 3.1 12.7 1.0
CD2 E:HIS84 3.2 13.8 1.0
OD1 E:ASP170 3.4 13.4 1.0
ND1 E:HIS174 4.1 14.5 1.0
ND1 E:HIS84 4.2 12.0 1.0
ND1 E:HIS33 4.2 12.4 1.0
CG E:HIS174 4.2 19.5 1.0
CG E:HIS33 4.2 10.6 1.0
CG E:HIS84 4.3 15.6 1.0
CB E:ASP170 4.3 16.0 1.0
CH2 E:TRP135 4.5 12.6 1.0
CB E:PHE172 4.5 10.6 1.0
CZ2 E:TRP135 4.6 12.6 1.0
CG E:PHE172 4.9 12.8 1.0
CB E:ALA175 4.9 9.0 1.0

Iron binding site 6 out of 6 in 1b06

Go back to Iron Binding Sites List in 1b06
Iron binding site 6 out of 6 in the Superoxide Dismutase From Sulfolobus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Superoxide Dismutase From Sulfolobus Acidocaldarius within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe327

b:17.6
occ:1.00
 OD2 F:ASP170 2.0 17.0 1.0
NE2 F:HIS84 2.1 10.8 1.0
O F:HOH395 2.1 18.2 1.0
NE2 F:HIS174 2.2 14.8 1.0
NE2 F:HIS33 2.2 14.6 1.0
CE1 F:HIS84 3.0 11.2 1.0
CG F:ASP170 3.0 12.1 1.0
CE1 F:HIS174 3.1 13.4 1.0
CD2 F:HIS33 3.2 9.8 1.0
CE1 F:HIS33 3.2 12.3 1.0
CD2 F:HIS84 3.2 5.2 1.0
CD2 F:HIS174 3.2 13.6 1.0
OD1 F:ASP170 3.5 12.9 1.0
ND1 F:HIS84 4.1 7.2 1.0
ND1 F:HIS174 4.2 15.6 1.0
CG F:HIS84 4.3 9.2 1.0
ND1 F:HIS33 4.3 11.7 1.0
CG F:HIS174 4.3 13.9 1.0
CB F:ASP170 4.3 12.3 1.0
CG F:HIS33 4.3 10.9 1.0
CH2 F:TRP135 4.4 8.0 1.0
CZ2 F:TRP135 4.4 8.3 1.0
CB F:PHE172 4.5 10.3 1.0
CG F:PHE172 4.9 13.4 1.0
CB F:ALA175 4.9 12.0 1.0

Reference:

S.Knapp, S.Kardinahl, N.Hellgren, G.Tibbelin, G.Schafer, R.Ladenstein. Refined Crystal Structure of A Superoxide Dismutase From the Hyperthermophilic Archaeon Sulfolobus Acidocaldarius at 2.2 A Resolution. J.Mol.Biol. V. 285 689 1999.
ISSN: ISSN 0022-2836
PubMed: 9878438
DOI: 10.1006/JMBI.1998.2344
Page generated: Sat Aug 3 02:23:59 2024

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