Iron in PDB 1uuv: Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active Site.

All present enzymatic activity of Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active Site.:
1.14.12.12;

The structure of Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active Site., PDB code: 1uuv 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)	25.00 / 1.65
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.600, 139.600, 209.303, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.4

The binding sites of Iron atom in the Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active Site. (pdb code 1uuv). 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 Nitric Oxide and Indole Bound in the Active Site., PDB code: 1uuv:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active 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 Nitric Oxide and Indole Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1448 b:31.5 occ:1.00 FE1 A:FES1448 0.0 31.5 1.0 ND1 A:HIS104 2.0 32.9 1.0 ND1 A:HIS83 2.1 29.5 1.0 S1 A:FES1448 2.2 31.6 1.0 S2 A:FES1448 2.2 29.4 1.0 FE2 A:FES1448 2.6 28.0 1.0 CE1 A:HIS104 2.9 31.7 1.0 CG A:HIS104 3.1 32.5 1.0 CG A:HIS83 3.1 28.9 1.0 CE1 A:HIS83 3.1 34.1 1.0 CB A:HIS83 3.4 29.9 1.0 CB A:HIS104 3.5 32.0 1.0 N A:HIS104 3.8 31.5 1.0 CB A:TYR103 4.0 30.6 1.0 NE2 A:HIS104 4.1 33.6 1.0 N A:ARG84 4.1 29.5 1.0 CD2 A:HIS104 4.2 32.6 1.0 CA A:HIS104 4.2 32.3 1.0 NE2 A:HIS83 4.2 29.6 1.0 CD2 A:HIS83 4.3 31.1 1.0 CG A:ARG84 4.3 34.2 1.0 CG A:TYR103 4.3 30.8 1.0 SG A:CYS81 4.4 28.0 1.0 CD1 A:TYR103 4.4 31.9 1.0 CB A:ARG84 4.5 30.8 1.0 SG A:CYS101 4.5 29.1 1.0 CA A:HIS83 4.6 29.4 1.0 C A:TYR103 4.7 31.0 1.0 C A:HIS83 4.8 30.2 1.0 CA A:ARG84 4.9 30.4 1.0 CA A:TYR103 4.9 30.2 1.0 CD1 A:TRP106 5.0 33.9 1.0 C A:HIS104 5.0 32.8 1.0

Iron binding site 2 out of 3 in the Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active 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 Nitric Oxide and Indole Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1448 b:28.0 occ:1.00 FE2 A:FES1448 0.0 28.0 1.0 S2 A:FES1448 2.2 29.4 1.0 S1 A:FES1448 2.2 31.6 1.0 SG A:CYS101 2.3 29.1 1.0 SG A:CYS81 2.3 28.0 1.0 FE1 A:FES1448 2.6 31.5 1.0 CB A:CYS101 3.1 29.2 1.0 CB A:CYS81 3.2 26.4 1.0 CB A:HIS83 4.0 29.9 1.0 CB A:TYR103 4.2 30.6 1.0 ND1 A:HIS83 4.4 29.5 1.0 ND1 A:HIS104 4.4 32.9 1.0 N A:HIS104 4.5 31.5 1.0 CA A:CYS101 4.6 30.0 1.0 CB A:LYS86 4.6 29.5 1.0 CA A:CYS81 4.6 27.3 1.0 N A:ARG84 4.7 29.5 1.0 CG A:HIS83 4.7 28.9 1.0 CB A:TRP106 4.9 31.7 1.0 N A:TYR103 5.0 30.6 1.0 N A:HIS83 5.0 29.2 1.0

Iron binding site 3 out of 3 in the Naphthalene 1,2-Dioxygenase with Nitric Oxide and Indole Bound in the Active 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 Nitric Oxide and Indole Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1454 b:53.4 occ:1.00 N A:NO1453 1.7 37.6 1.0 NE2 A:HIS213 2.0 31.4 1.0 NE2 A:HIS208 2.2 35.2 1.0 OD2 A:ASP362 2.5 41.5 1.0 OD1 A:ASP362 2.7 42.7 1.0 CE1 A:HIS213 2.9 30.5 1.0 O A:NO1453 2.9 45.0 1.0 CG A:ASP362 3.0 36.8 1.0 CD2 A:HIS213 3.1 33.0 1.0 CD2 A:HIS208 3.1 36.4 1.0 CE1 A:HIS208 3.2 37.2 1.0 OD1 A:ASN201 3.7 40.6 1.0 ND1 A:HIS213 4.0 29.3 1.0 CG A:HIS213 4.1 31.1 1.0 C3 A:IND1452 4.3 49.7 1.0 CG A:HIS208 4.3 36.5 1.0 ND1 A:HIS208 4.3 35.3 1.0 CB A:ASP362 4.5 33.2 1.0 CG A:ASN201 4.6 35.4 1.0 C2 A:IND1452 4.7 48.8 1.0 ND2 A:ASN201 4.7 37.2 1.0 CG2 A:THR212 4.8 34.3 1.0 CE1 A:PHE352 4.8 30.0 1.0 CZ A:PHE352 4.9 29.4 1.0

A.Karlsson, J.V.Parales, R.E.Parales, D.T.Gibson, H.Eklund, S.Ramaswamy. No Binding to Naphthalene Dioxygenase. J.Biol.Inorg.Chem. V. 10 483 2005.
ISSN: ISSN 0949-8257
PubMed: 15942729
DOI: 10.1007/S00775-005-0657-1