Iron in PDB 1o7h: Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site.

All present enzymatic activity of Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site.:
1.14.12.12;

The structure of Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site., PDB code: 1o7h was solved by A.Karlsson, J.V.Parales, R.E.Parales, D.T.Gibson, H.Eklund, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.2
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	138.308, 138.308, 206.670, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.2

The binding sites of Iron atom in the Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site. (pdb code 1o7h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site., PDB code: 1o7h:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1451 b:28.8 occ:1.00 NE2 A:HIS213 2.0 26.1 1.0 OD1 A:ASP362 2.1 24.5 1.0 NE2 A:HIS208 2.1 23.0 1.0 O A:HOH2137 2.2 34.3 1.0 OD2 A:ASP362 2.3 25.2 1.0 CG A:ASP362 2.5 24.2 1.0 CE1 A:HIS213 3.0 23.4 1.0 CD2 A:HIS213 3.0 25.9 1.0 CE1 A:HIS208 3.1 24.0 1.0 CD2 A:HIS208 3.2 24.9 1.0 ND2 A:ASN201 3.7 23.8 1.0 CB A:ASP362 4.0 24.7 1.0 ND1 A:HIS213 4.1 25.7 1.0 CG A:HIS213 4.1 26.2 1.0 O A:HOH2185 4.1 22.3 1.0 ND1 A:HIS208 4.2 24.4 1.0 CG A:HIS208 4.3 26.1 1.0 OD1 A:ASN201 4.3 26.2 1.0 CG2 A:THR212 4.3 27.4 1.0 CG A:ASN201 4.4 23.6 1.0 CA A:ASP362 4.9 24.2 1.0

Iron binding site 2 out of 3 in the Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1454 b:17.9 occ:1.00 FE1 A:FES1454 0.0 17.9 1.0 ND1 A:HIS104 1.9 14.0 1.0 ND1 A:HIS83 2.1 19.3 1.0 S1 A:FES1454 2.2 19.5 1.0 S2 A:FES1454 2.2 15.2 1.0 FE2 A:FES1454 2.7 15.9 1.0 CE1 A:HIS104 2.8 16.6 1.0 CG A:HIS104 2.9 17.5 1.0 CG A:HIS83 3.1 19.7 1.0 CE1 A:HIS83 3.1 20.1 1.0 CB A:HIS83 3.3 17.5 1.0 CB A:HIS104 3.4 18.4 1.0 N A:HIS104 3.8 19.4 1.0 NE2 A:HIS104 3.9 16.4 1.0 N A:ARG84 4.0 16.4 1.0 CD2 A:HIS104 4.0 14.2 1.0 CA A:HIS104 4.1 19.7 1.0 CB A:TYR103 4.1 19.0 1.0 NE2 A:HIS83 4.2 19.5 1.0 CD2 A:HIS83 4.2 18.7 1.0 SG A:CYS81 4.2 16.0 1.0 CG A:ARG84 4.3 20.2 1.0 CG A:TYR103 4.5 20.0 1.0 SG A:CYS101 4.5 14.9 1.0 CD1 A:TYR103 4.5 18.5 1.0 CA A:HIS83 4.6 17.8 1.0 CB A:ARG84 4.6 17.0 1.0 C A:TYR103 4.7 19.5 1.0 C A:HIS83 4.8 17.6 1.0 CA A:ARG84 4.9 16.9 1.0 CD1 A:TRP106 4.9 17.9 1.0 NE1 A:TRP106 4.9 20.2 1.0 C A:HIS104 4.9 20.4 1.0 CA A:TYR103 5.0 19.2 1.0

Iron binding site 3 out of 3 in the Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Naphthalene 1,2-Dioxygenase with Oxidized Rieske Iron Sulphur Center Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1454 b:15.9 occ:1.00 FE2 A:FES1454 0.0 15.9 1.0 SG A:CYS81 2.2 16.0 1.0 S2 A:FES1454 2.2 15.2 1.0 S1 A:FES1454 2.2 19.5 1.0 SG A:CYS101 2.3 14.9 1.0 FE1 A:FES1454 2.7 17.9 1.0 CB A:CYS101 3.0 19.0 1.0 CB A:CYS81 3.1 17.2 1.0 CB A:HIS83 4.1 17.5 1.0 ND1 A:HIS104 4.2 14.0 1.0 CB A:TYR103 4.2 19.0 1.0 N A:HIS104 4.4 19.4 1.0 ND1 A:HIS83 4.4 19.3 1.0 CA A:CYS101 4.5 18.9 1.0 CA A:CYS81 4.5 17.0 1.0 CB A:LYS86 4.6 15.8 1.0 N A:ARG84 4.7 16.4 1.0 CG A:HIS83 4.7 19.7 1.0 CB A:TRP106 4.8 19.1 1.0 N A:TYR103 4.9 19.3 1.0 C A:CYS101 4.9 19.7 1.0 N A:HIS83 5.0 18.6 1.0 CG A:TRP106 5.0 18.1 1.0 CA A:TYR103 5.0 19.2 1.0

A.Karlsson, J.V.Parales, R.E.Parales, D.T.Gibson, H.Eklund, S.Ramaswamy. Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron Science V. 299 1039 2003.
ISSN: ISSN 0036-8075
PubMed: 12586937
DOI: 10.1126/SCIENCE.1078020