Iron in PDB 4hm7: Naphthalene 1,2-Dioxygenase Bound to Styrene

All present enzymatic activity of Naphthalene 1,2-Dioxygenase Bound to Styrene:
1.14.12.12;

The structure of Naphthalene 1,2-Dioxygenase Bound to Styrene, PDB code: 4hm7 was solved by D.J.Ferraro, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.98 / 1.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.835, 139.835, 208.029, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 19.4

The binding sites of Iron atom in the Naphthalene 1,2-Dioxygenase Bound to Styrene (pdb code 4hm7). 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 Bound to Styrene, PDB code: 4hm7:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Naphthalene 1,2-Dioxygenase Bound to Styrene


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 Bound to Styrene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:14.9 occ:1.00 FE1 A:FES1004 0.0 14.9 1.0 S1 A:FES1004 2.2 16.2 1.0 S2 A:FES1004 2.2 13.7 1.0 ND1 A:HIS83 2.3 15.0 1.0 ND1 A:HIS104 2.3 15.0 1.0 FE2 A:FES1004 2.6 13.9 1.0 CG A:HIS83 3.1 14.8 1.0 CE1 A:HIS104 3.2 14.6 1.0 CG A:HIS104 3.2 14.1 1.0 CB A:HIS83 3.3 14.3 1.0 CE1 A:HIS83 3.3 15.1 1.0 CB A:HIS104 3.5 13.8 1.0 N A:HIS104 3.7 13.6 1.0 N A:ARG84 4.0 16.2 1.0 CB A:TYR103 4.1 13.8 1.0 CA A:HIS104 4.2 14.9 1.0 CG A:ARG84 4.3 20.6 1.0 NE2 A:HIS104 4.3 15.1 1.0 CD2 A:HIS83 4.3 13.8 1.0 CD2 A:HIS104 4.3 14.6 1.0 NE2 A:HIS83 4.4 14.7 1.0 SG A:CYS81 4.4 13.4 1.0 CG A:TYR103 4.4 12.5 1.0 CB A:ARG84 4.5 17.8 1.0 SG A:CYS101 4.5 14.1 1.0 CA A:HIS83 4.6 14.9 1.0 CD2 A:TYR103 4.6 13.0 1.0 C A:TYR103 4.6 14.3 1.0 C A:HIS83 4.7 16.3 1.0 CA A:ARG84 4.8 16.3 1.0 CA A:TYR103 4.9 13.1 1.0 C A:HIS104 5.0 16.2 1.0

Iron binding site 2 out of 3 in the Naphthalene 1,2-Dioxygenase Bound to Styrene


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 Bound to Styrene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:13.9 occ:1.00 FE2 A:FES1004 0.0 13.9 1.0 S1 A:FES1004 2.2 16.2 1.0 S2 A:FES1004 2.2 13.7 1.0 SG A:CYS101 2.4 14.1 1.0 SG A:CYS81 2.4 13.4 1.0 FE1 A:FES1004 2.6 14.9 1.0 CB A:CYS101 3.1 15.2 1.0 CB A:CYS81 3.2 13.9 1.0 CB A:HIS83 4.0 14.3 1.0 CB A:TYR103 4.2 13.8 1.0 N A:HIS104 4.4 13.6 1.0 ND1 A:HIS83 4.5 15.0 1.0 CB A:LYS86 4.5 17.7 1.0 ND1 A:HIS104 4.6 15.0 1.0 CA A:CYS101 4.6 13.8 1.0 N A:ARG84 4.6 16.2 1.0 CA A:CYS81 4.6 13.4 1.0 CG A:HIS83 4.8 14.8 1.0 CB A:TRP106 4.8 15.7 1.0 N A:HIS83 4.9 14.5 1.0 N A:TYR103 4.9 13.2 1.0 CA A:HIS83 5.0 14.9 1.0

Iron binding site 3 out of 3 in the Naphthalene 1,2-Dioxygenase Bound to Styrene


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 Bound to Styrene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1005 b:20.7 occ:1.00 NE2 A:HIS213 2.0 16.9 1.0 O A:HOH1393 2.1 52.2 1.0 NE2 A:HIS208 2.1 17.1 1.0 OD1 A:ASP362 2.3 21.4 1.0 OD2 A:ASP362 2.4 26.0 1.0 CG A:ASP362 2.7 22.6 1.0 CE1 A:HIS213 2.9 16.3 1.0 CD2 A:HIS208 3.0 16.6 1.0 CD2 A:HIS213 3.1 18.3 1.0 CE1 A:HIS208 3.2 16.5 1.0 ND2 A:ASN201 3.8 19.2 1.0 O A:HOH1199 3.9 54.9 1.0 ND1 A:HIS213 4.0 15.4 1.0 CB A:ASP362 4.2 19.8 1.0 CG A:HIS213 4.2 15.6 1.0 O A:HOH1151 4.2 30.2 1.0 CG A:HIS208 4.2 16.3 1.0 ND1 A:HIS208 4.2 16.7 1.0 OD1 A:ASN201 4.2 21.9 1.0 CG2 A:THR212 4.4 17.3 1.0 CAD A:SYN1006 4.4 44.0 0.5 CG A:ASN201 4.4 18.9 1.0 CAC A:SYN1006 4.5 43.0 0.5 CAB A:SYN1006 4.5 44.0 0.5 CAA A:SYN1006 4.9 44.6 0.5

D.J.Ferraro, S.Ramaswamy. Naphthalene 1,2-Dioxygenase Bound to Styrene To Be Published.