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Iron in PDB 3ljf: The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)

Enzymatic activity of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)

All present enzymatic activity of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II):
1.15.1.1;

Protein crystallography data

The structure of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II), PDB code: 3ljf was solved by A.Merlino, I.Russo Krauss, B.Rossi, M.Conte, A.Vergara, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.476, 103.785, 90.251, 90.00, 103.81, 90.00
R / Rfree (%) 19.2 / 24.8

Iron Binding Sites:

The binding sites of Iron atom in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II) (pdb code 3ljf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II), PDB code: 3ljf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3ljf

Go back to Iron Binding Sites List in 3ljf
Iron binding site 1 out of 4 in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe5000

b:16.5
occ:1.00
 OD2 A:ASP157 1.9 15.0 1.0
NE2 A:HIS73 2.0 18.4 1.0
NE2 A:HIS26 2.1 13.8 1.0
O A:HOH5004 2.2 24.3 1.0
NE2 A:HIS161 2.2 16.6 1.0
CE1 A:HIS26 2.9 14.9 1.0
CE1 A:HIS73 3.0 17.6 1.0
CD2 A:HIS73 3.0 16.9 1.0
CG A:ASP157 3.0 14.8 1.0
CD2 A:HIS161 3.2 14.6 1.0
CD2 A:HIS26 3.2 11.5 1.0
CE1 A:HIS161 3.3 15.9 1.0
OD1 A:ASP157 3.6 16.1 1.0
ND1 A:HIS26 4.1 14.7 1.0
ND1 A:HIS73 4.1 17.2 1.0
CG A:HIS73 4.2 16.3 1.0
CB A:ASP157 4.2 14.1 1.0
CG A:HIS26 4.3 13.6 1.0
CH2 A:TRP122 4.4 11.1 1.0
CG A:HIS161 4.4 15.7 1.0
ND1 A:HIS161 4.4 16.7 1.0
CB A:TRP159 4.4 13.5 1.0
CZ2 A:TRP122 4.5 15.5 1.0
CG A:TRP159 4.7 15.9 1.0
CB A:ALA162 4.9 17.2 1.0

Iron binding site 2 out of 4 in 3ljf

Go back to Iron Binding Sites List in 3ljf
Iron binding site 2 out of 4 in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe5002

b:18.6
occ:1.00
 OD2 C:ASP157 2.0 17.5 1.0
NE2 C:HIS161 2.0 19.6 1.0
NE2 C:HIS73 2.1 17.8 1.0
NE2 C:HIS26 2.2 15.0 1.0
O C:HOH5006 2.4 15.5 1.0
CD2 C:HIS73 3.0 17.5 1.0
CE1 C:HIS161 3.0 17.2 1.0
CE1 C:HIS26 3.1 17.7 1.0
CD2 C:HIS161 3.1 15.4 1.0
CE1 C:HIS73 3.1 18.1 1.0
CG C:ASP157 3.1 18.9 1.0
CD2 C:HIS26 3.3 15.8 1.0
OD1 C:ASP157 3.6 19.1 1.0
ND1 C:HIS161 4.2 16.4 1.0
CG C:HIS73 4.2 17.6 1.0
ND1 C:HIS73 4.2 17.4 1.0
CG C:HIS161 4.2 17.8 1.0
ND1 C:HIS26 4.3 17.2 1.0
CB C:ASP157 4.3 17.9 1.0
CG C:HIS26 4.4 16.1 1.0
CB C:TRP159 4.4 16.4 1.0
CH2 C:TRP122 4.5 15.0 1.0
CZ2 C:TRP122 4.6 17.6 1.0
CG C:TRP159 4.7 17.8 1.0
CB C:ALA162 4.9 16.1 1.0

Iron binding site 3 out of 4 in 3ljf

Go back to Iron Binding Sites List in 3ljf
Iron binding site 3 out of 4 in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe5001

b:16.9
occ:1.00
 OD2 B:ASP157 2.0 20.7 1.0
NE2 B:HIS161 2.0 14.9 1.0
O B:HOH5005 2.1 4.5 1.0
NE2 B:HIS73 2.1 16.0 1.0
NE2 B:HIS26 2.2 11.1 1.0
CD2 B:HIS161 3.0 14.9 1.0
CD2 B:HIS73 3.0 17.2 1.0
CE1 B:HIS26 3.1 12.3 1.0
CE1 B:HIS161 3.1 14.6 1.0
CG B:ASP157 3.1 18.7 1.0
CD2 B:HIS26 3.2 11.5 1.0
CE1 B:HIS73 3.2 16.7 1.0
OD1 B:ASP157 3.6 16.9 1.0
CG B:HIS161 4.2 15.6 1.0
ND1 B:HIS161 4.2 14.7 1.0
CG B:HIS73 4.2 16.7 1.0
ND1 B:HIS26 4.2 14.2 1.0
ND1 B:HIS73 4.3 15.6 1.0
CG B:HIS26 4.3 14.8 1.0
CB B:ASP157 4.4 17.5 1.0
CH2 B:TRP122 4.4 17.2 1.0
CB B:TRP159 4.5 13.7 1.0
CZ2 B:TRP122 4.6 14.8 1.0
CG B:TRP159 4.8 13.8 1.0
CB B:ALA162 4.9 16.6 1.0

Iron binding site 4 out of 4 in 3ljf

Go back to Iron Binding Sites List in 3ljf
Iron binding site 4 out of 4 in the The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The X-Ray Structure of Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form II) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe5003

b:17.5
occ:1.00
 OD2 D:ASP157 2.0 17.2 1.0
NE2 D:HIS73 2.1 15.6 1.0
NE2 D:HIS26 2.1 15.6 1.0
NE2 D:HIS161 2.1 16.7 1.0
O D:HOH1699 2.2 17.4 1.0
CD2 D:HIS73 3.0 16.9 1.0
CE1 D:HIS26 3.0 18.0 1.0
CD2 D:HIS161 3.1 14.0 1.0
CG D:ASP157 3.1 17.6 1.0
CD2 D:HIS26 3.2 15.7 1.0
CE1 D:HIS73 3.2 16.0 1.0
CE1 D:HIS161 3.2 13.5 1.0
OD1 D:ASP157 3.6 15.3 1.0
CG D:HIS73 4.2 14.8 1.0
ND1 D:HIS26 4.2 17.7 1.0
ND1 D:HIS73 4.3 16.3 1.0
CG D:HIS161 4.3 16.9 1.0
CG D:HIS26 4.3 17.1 1.0
ND1 D:HIS161 4.3 13.1 1.0
CB D:ASP157 4.3 17.4 1.0
CH2 D:TRP122 4.4 14.2 1.0
CB D:TRP159 4.5 15.2 1.0
CZ2 D:TRP122 4.6 11.2 1.0
CG D:TRP159 4.8 19.1 1.0
CB D:ALA162 4.9 16.6 1.0

Reference:

A.Merlino, I.Russo Krauss, I.Castellano, E.De Vendittis, B.Rossi, M.Conte, A.Vergara, F.Sica. Structure and Flexibility in Cold-Adapted Iron Superoxide Dismutases: the Case of the Enzyme Isolated From Pseudoalteromonas Haloplanktis. J.Struct.Biol. V. 172 343 2010.
ISSN: ISSN 1047-8477
PubMed: 20732427
DOI: 10.1016/J.JSB.2010.08.008
Page generated: Sun Aug 4 14:30:19 2024

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