Iron in PDB 4hm4: Naphthalene 1,2-Dioxygenase Bound to Indan

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

The structure of Naphthalene 1,2-Dioxygenase Bound to Indan, PDB code: 4hm4 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)	15.95 / 1.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	140.097, 140.097, 208.222, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 19.6

The binding sites of Iron atom in the Naphthalene 1,2-Dioxygenase Bound to Indan (pdb code 4hm4). 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 Indan, PDB code: 4hm4:
Jump to Iron binding site number: 1; 2; 3;

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


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 Indan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:13.5 occ:1.00 FE1 A:FES1004 0.0 13.5 1.0 S1 A:FES1004 2.2 15.6 1.0 S2 A:FES1004 2.2 13.2 1.0 ND1 A:HIS83 2.2 13.5 1.0 ND1 A:HIS104 2.3 13.5 1.0 FE2 A:FES1004 2.7 12.8 1.0 CG A:HIS83 3.1 13.5 1.0 CE1 A:HIS104 3.2 14.3 1.0 CG A:HIS104 3.2 12.7 1.0 CE1 A:HIS83 3.3 13.2 1.0 CB A:HIS83 3.3 12.6 1.0 CB A:HIS104 3.5 12.7 1.0 N A:HIS104 3.7 13.2 1.0 N A:ARG84 4.0 14.0 1.0 CB A:TYR103 4.0 12.6 1.0 CA A:HIS104 4.2 13.5 1.0 NE2 A:HIS104 4.3 13.7 1.0 CG A:ARG84 4.3 19.7 1.0 CD2 A:HIS83 4.3 14.4 1.0 CD2 A:HIS104 4.3 13.9 1.0 NE2 A:HIS83 4.4 13.6 1.0 CG A:TYR103 4.4 12.8 1.0 SG A:CYS81 4.4 12.4 1.0 CB A:ARG84 4.4 16.8 1.0 SG A:CYS101 4.6 12.9 1.0 CA A:HIS83 4.6 13.4 1.0 CD2 A:TYR103 4.6 12.0 1.0 C A:TYR103 4.6 13.7 1.0 C A:HIS83 4.7 14.5 1.0 CA A:ARG84 4.8 14.8 1.0 CA A:TYR103 4.9 12.2 1.0 C A:HIS104 5.0 14.6 1.0

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


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 Indan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:12.8 occ:1.00 FE2 A:FES1004 0.0 12.8 1.0 S1 A:FES1004 2.2 15.6 1.0 S2 A:FES1004 2.2 13.2 1.0 SG A:CYS101 2.4 12.9 1.0 SG A:CYS81 2.4 12.4 1.0 FE1 A:FES1004 2.7 13.5 1.0 CB A:CYS101 3.1 13.2 1.0 CB A:CYS81 3.2 12.1 1.0 CB A:HIS83 4.1 12.6 1.0 CB A:TYR103 4.2 12.6 1.0 N A:HIS104 4.5 13.2 1.0 ND1 A:HIS83 4.5 13.5 1.0 CB A:LYS86 4.6 17.3 1.0 CA A:CYS101 4.6 12.6 1.0 N A:ARG84 4.6 14.0 1.0 ND1 A:HIS104 4.6 13.5 1.0 CA A:CYS81 4.6 12.1 1.0 CG A:HIS83 4.8 13.5 1.0 CB A:TRP106 4.8 12.9 1.0 N A:TYR103 4.9 12.6 1.0 N A:HIS83 4.9 14.4 1.0 CA A:HIS83 5.0 13.4 1.0 CA A:TYR103 5.0 12.2 1.0

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


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 Indan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1005 b:19.2 occ:1.00 O A:HOH1409 2.0 48.2 1.0 NE2 A:HIS213 2.0 15.4 1.0 NE2 A:HIS208 2.1 16.3 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 22.2 1.0 CE1 A:HIS213 3.0 14.6 1.0 CD2 A:HIS208 3.0 14.9 1.0 CD2 A:HIS213 3.1 15.8 1.0 CE1 A:HIS208 3.2 16.9 1.0 ND2 A:ASN201 3.8 17.8 1.0 O A:HOH1407 4.0 25.7 1.0 C7 A:16N1006 4.0 37.3 1.0 ND1 A:HIS213 4.1 14.5 1.0 CG A:HIS213 4.2 14.8 1.0 CB A:ASP362 4.2 18.7 1.0 OD1 A:ASN201 4.2 20.6 1.0 CG A:HIS208 4.2 15.2 1.0 ND1 A:HIS208 4.2 16.2 1.0 O A:HOH1160 4.3 28.7 1.0 CG2 A:THR212 4.4 12.8 1.0 CG A:ASN201 4.4 17.8 1.0 C8 A:16N1006 4.5 36.8 1.0

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