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

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

The structure of Naphthalene 1,2-Dioxygenase with Nitric Oxide Bound in the Active Site., PDB code: 1uuw 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 / 2.3
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	140.556, 140.556, 210.288, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 19.4

The binding sites of Iron atom in the Naphthalene 1,2-Dioxygenase with Nitric Oxide Bound in the Active Site. (pdb code 1uuw). 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 Bound in the Active Site., PDB code: 1uuw:
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 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 Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1448 b:27.6 occ:1.00 FE1 A:FES1448 0.0 27.6 1.0 ND1 A:HIS104 2.0 29.2 1.0 S1 A:FES1448 2.2 26.1 1.0 S2 A:FES1448 2.2 23.2 1.0 ND1 A:HIS83 2.4 28.4 1.0 FE2 A:FES1448 2.7 22.9 1.0 CE1 A:HIS104 2.9 30.4 1.0 CG A:HIS104 3.0 28.0 1.0 CG A:HIS83 3.2 27.7 1.0 CB A:HIS83 3.3 26.4 1.0 CB A:HIS104 3.4 27.4 1.0 CE1 A:HIS83 3.5 29.2 1.0 N A:HIS104 3.8 26.9 1.0 NE2 A:HIS104 4.0 28.6 1.0 N A:ARG84 4.0 25.1 1.0 CD2 A:HIS104 4.1 28.7 1.0 CB A:TYR103 4.1 26.1 1.0 CA A:HIS104 4.2 27.5 1.0 SG A:CYS81 4.3 25.3 1.0 CG A:ARG84 4.3 25.5 1.0 CG A:TYR103 4.4 26.2 1.0 CD2 A:HIS83 4.5 28.3 1.0 CD1 A:TYR103 4.5 26.9 1.0 NE2 A:HIS83 4.5 28.8 1.0 SG A:CYS101 4.5 24.6 1.0 CB A:ARG84 4.6 24.6 1.0 CA A:HIS83 4.6 26.2 1.0 C A:TYR103 4.7 26.3 1.0 C A:HIS83 4.8 26.0 1.0 CA A:ARG84 4.9 24.8 1.0 CD1 A:TRP106 5.0 30.4 1.0 CA A:TYR103 5.0 26.2 1.0

Iron binding site 2 out of 3 in the Naphthalene 1,2-Dioxygenase with Nitric Oxide 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 Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1448 b:22.9 occ:1.00 FE2 A:FES1448 0.0 22.9 1.0 S2 A:FES1448 2.2 23.2 1.0 S1 A:FES1448 2.2 26.1 1.0 SG A:CYS81 2.3 25.3 1.0 SG A:CYS101 2.4 24.6 1.0 FE1 A:FES1448 2.7 27.6 1.0 CB A:CYS81 3.1 25.2 1.0 CB A:CYS101 3.2 26.8 1.0 CB A:TYR103 4.2 26.1 1.0 CB A:HIS83 4.2 26.4 1.0 ND1 A:HIS104 4.3 29.2 1.0 N A:HIS104 4.5 26.9 1.0 CA A:CYS81 4.6 25.0 1.0 CA A:CYS101 4.6 26.7 1.0 CB A:LYS86 4.7 23.6 1.0 N A:ARG84 4.7 25.1 1.0 ND1 A:HIS83 4.7 28.4 1.0 CB A:TRP106 4.9 28.6 1.0 N A:HIS83 5.0 26.5 1.0 CG A:HIS83 5.0 27.7 1.0 N A:TYR103 5.0 26.1 1.0

Iron binding site 3 out of 3 in the Naphthalene 1,2-Dioxygenase with Nitric Oxide 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 Bound in the Active Site. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1450 b:30.2 occ:1.00 O A:HOH2133 2.1 45.1 1.0 NE2 A:HIS213 2.1 33.4 1.0 OD1 A:ASP362 2.2 31.9 1.0 OD2 A:ASP362 2.2 30.8 1.0 NE2 A:HIS208 2.3 32.4 1.0 CG A:ASP362 2.6 30.0 1.0 CD2 A:HIS213 3.0 33.0 1.0 CD2 A:HIS208 3.1 34.1 1.0 CE1 A:HIS213 3.1 33.0 1.0 CE1 A:HIS208 3.4 34.0 1.0 OD1 A:ASN201 3.9 34.7 1.0 O A:HOH2184 4.1 34.2 1.0 CB A:ASP362 4.1 30.5 1.0 CG A:HIS213 4.2 32.5 1.0 ND2 A:ASN201 4.2 29.7 1.0 ND1 A:HIS213 4.2 33.1 1.0 CG A:HIS208 4.3 35.1 1.0 ND1 A:HIS208 4.4 34.0 1.0 CG2 A:THR212 4.4 33.1 1.0 CG A:ASN201 4.5 30.1 1.0 CA A:ASP362 5.0 29.9 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