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Iron in PDB 3js4: Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum

Enzymatic activity of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum

All present enzymatic activity of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum, PDB code: 3js4 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.95
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.660, 66.600, 85.440, 102.09, 104.83, 88.58
R / Rfree (%) 16.7 / 20.6

Other elements in 3js4:

The structure of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum (pdb code 3js4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum, PDB code: 3js4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3js4

Go back to Iron Binding Sites List in 3js4
Iron binding site 1 out of 4 in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe207

b:15.3
occ:1.00
 OD2 A:ASP165 2.0 7.9 1.0
NE2 A:HIS80 2.2 2.5 1.0
NE2 A:HIS169 2.2 10.9 1.0
O A:HOH209 2.3 9.8 1.0
NE2 A:HIS24 2.3 5.4 1.0
CG A:ASP165 3.1 7.3 1.0
CE1 A:HIS80 3.1 6.9 1.0
CD2 A:HIS169 3.1 9.0 1.0
CD2 A:HIS80 3.2 4.9 1.0
CE1 A:HIS169 3.2 9.1 1.0
CE1 A:HIS24 3.2 6.9 1.0
CD2 A:HIS24 3.2 6.7 1.0
OD1 A:ASP165 3.6 6.4 1.0
O A:HOH286 3.9 24.6 1.0
ND1 A:HIS80 4.2 6.7 1.0
ND1 A:HIS169 4.3 8.8 1.0
CG A:HIS169 4.3 8.4 1.0
CG A:HIS80 4.3 6.0 1.0
CH2 A:TRP129 4.3 3.7 1.0
ND1 A:HIS24 4.3 7.5 1.0
CG A:HIS24 4.4 7.6 1.0
CB A:ASP165 4.4 6.4 1.0
CZ2 A:TRP129 4.5 4.6 1.0
CB A:TRP167 4.5 5.0 1.0
CG A:TRP167 4.8 5.1 1.0
CB A:ALA170 4.9 5.9 1.0

Iron binding site 2 out of 4 in 3js4

Go back to Iron Binding Sites List in 3js4
Iron binding site 2 out of 4 in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe207

b:15.9
occ:1.00
 OD2 B:ASP165 2.0 7.7 1.0
NE2 B:HIS169 2.1 5.9 1.0
NE2 B:HIS24 2.2 6.1 1.0
O B:HOH209 2.3 9.3 1.0
NE2 B:HIS80 2.3 3.9 1.0
CD2 B:HIS169 3.1 8.5 1.0
CE1 B:HIS24 3.1 7.7 1.0
CE1 B:HIS169 3.1 7.0 1.0
CG B:ASP165 3.2 6.8 1.0
CD2 B:HIS24 3.2 7.0 1.0
CE1 B:HIS80 3.2 6.5 1.0
CD2 B:HIS80 3.3 4.6 1.0
OD1 B:ASP165 3.7 7.7 1.0
O B:HOH242 3.8 32.6 1.0
CG B:HIS169 4.2 6.9 1.0
ND1 B:HIS169 4.2 7.9 1.0
ND1 B:HIS24 4.2 6.0 1.0
CG B:HIS24 4.3 7.8 1.0
ND1 B:HIS80 4.3 5.1 1.0
CG B:HIS80 4.4 6.5 1.0
CB B:ASP165 4.4 5.4 1.0
CH2 B:TRP129 4.4 4.0 1.0
CZ2 B:TRP129 4.5 4.5 1.0
CB B:TRP167 4.6 3.8 1.0
CB B:ALA170 4.8 7.0 1.0
CG B:TRP167 4.8 4.5 1.0

Iron binding site 3 out of 4 in 3js4

Go back to Iron Binding Sites List in 3js4
Iron binding site 3 out of 4 in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe207

b:14.7
occ:1.00
 OD2 C:ASP165 2.0 8.4 1.0
NE2 C:HIS80 2.2 5.4 1.0
NE2 C:HIS169 2.2 6.5 1.0
NE2 C:HIS24 2.2 6.1 1.0
O C:HOH214 2.2 11.7 1.0
CD2 C:HIS169 3.0 5.8 1.0
CE1 C:HIS80 3.1 6.3 1.0
CD2 C:HIS80 3.1 5.0 1.0
CG C:ASP165 3.1 7.1 1.0
CE1 C:HIS24 3.2 4.3 1.0
CD2 C:HIS24 3.2 5.7 1.0
CE1 C:HIS169 3.3 6.9 1.0
OD1 C:ASP165 3.6 8.7 1.0
O C:HOH300 4.1 23.5 1.0
ND1 C:HIS80 4.2 6.4 1.0
CG C:HIS80 4.2 6.5 1.0
CG C:HIS169 4.3 7.5 1.0
ND1 C:HIS24 4.3 6.2 1.0
CH2 C:TRP129 4.3 5.6 1.0
CG C:HIS24 4.3 5.5 1.0
ND1 C:HIS169 4.3 7.4 1.0
CB C:ASP165 4.4 5.2 1.0
CZ2 C:TRP129 4.5 6.7 1.0
CB C:TRP167 4.6 3.8 1.0
CG C:TRP167 4.8 5.2 1.0
CB C:ALA170 4.9 5.5 1.0
CB C:HIS28 4.9 9.5 1.0

Iron binding site 4 out of 4 in 3js4

Go back to Iron Binding Sites List in 3js4
Iron binding site 4 out of 4 in the Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe207

b:17.5
occ:1.00
 OD2 D:ASP165 2.0 8.8 1.0
NE2 D:HIS169 2.1 6.5 1.0
NE2 D:HIS80 2.2 4.5 1.0
O D:HOH209 2.2 13.6 1.0
NE2 D:HIS24 2.3 5.9 1.0
CE1 D:HIS169 3.0 7.2 1.0
CD2 D:HIS169 3.1 7.5 1.0
CE1 D:HIS80 3.1 6.0 1.0
CD2 D:HIS80 3.1 4.3 1.0
CG D:ASP165 3.2 7.3 1.0
CE1 D:HIS24 3.2 7.5 1.0
CD2 D:HIS24 3.2 7.1 1.0
OD1 D:ASP165 3.6 7.6 1.0
ND1 D:HIS169 4.1 7.4 1.0
CG D:HIS169 4.2 8.1 1.0
ND1 D:HIS80 4.2 5.2 1.0
CG D:HIS80 4.3 6.0 1.0
ND1 D:HIS24 4.3 5.7 1.0
CH2 D:TRP129 4.3 5.5 1.0
CG D:HIS24 4.4 8.3 1.0
CB D:ASP165 4.4 5.3 1.0
CZ2 D:TRP129 4.5 5.1 1.0
CB D:TRP167 4.6 5.5 1.0
CG D:TRP167 4.8 4.9 1.0
CB D:ALA170 4.8 4.5 1.0

Reference:

T.E.Edwards, B.L.Staker, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of Iron Superoxide Dismutase From Anaplasma Phagocytophilum To Be Published.
Page generated: Sun Aug 4 13:35:09 2024

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