Iron in PDB 2hmj: Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.

All present enzymatic activity of Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.:
1.14.12.12;

The structure of Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant., PDB code: 2hmj was solved by D.J.Ferraro, A.L.Okerlund, J.C.Mowers, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.99 / 1.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.894, 139.894, 208.580, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 18.6

The binding sites of Iron atom in the Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant. (pdb code 2hmj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant., PDB code: 2hmj:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe450 b:19.0 occ:1.00 O A:HOH1085 2.0 28.2 1.0 NE2 A:HIS213 2.0 16.5 1.0 NE2 A:HIS208 2.1 17.3 1.0 OD1 A:ASP362 2.3 21.9 1.0 OD2 A:ASP362 2.5 26.8 1.0 CG A:ASP362 2.8 21.2 1.0 O1 A:EDO818 2.8 48.8 1.0 CE1 A:HIS213 3.0 14.9 1.0 CD2 A:HIS208 3.0 16.9 1.0 CD2 A:HIS213 3.1 16.2 1.0 CE1 A:HIS208 3.1 16.1 1.0 O2 A:EDO818 3.7 51.5 1.0 ND2 A:ASN201 3.8 21.0 1.0 O A:HOH1222 4.1 37.7 1.0 ND1 A:HIS213 4.1 16.1 1.0 C1 A:EDO818 4.1 50.3 1.0 CG A:HIS213 4.2 16.3 1.0 CG A:HIS208 4.2 16.0 1.0 ND1 A:HIS208 4.2 16.8 1.0 CB A:ASP362 4.2 19.1 1.0 OD1 A:ASN201 4.3 22.4 1.0 O A:HOH1311 4.3 43.6 1.0 C2 A:EDO818 4.4 50.5 1.0 CG A:ASN201 4.5 18.1 1.0 CG2 A:THR212 4.5 16.7 1.0

Iron binding site 2 out of 3 in the Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe913 b:15.3 occ:1.00 FE1 A:FES913 0.0 15.3 1.0 ND1 A:HIS104 2.1 16.2 1.0 ND1 A:HIS83 2.1 13.8 1.0 S1 A:FES913 2.2 16.8 1.0 S2 A:FES913 2.2 15.1 1.0 FE2 A:FES913 2.7 14.7 1.0 CE1 A:HIS104 3.0 15.9 1.0 CG A:HIS83 3.1 15.0 1.0 CG A:HIS104 3.1 15.0 1.0 CE1 A:HIS83 3.1 13.6 1.0 CB A:HIS83 3.3 15.8 1.0 CB A:HIS104 3.4 15.4 1.0 N A:HIS104 3.7 15.8 1.0 N A:ARG84 4.0 16.2 1.0 CB A:TYR103 4.1 15.3 1.0 NE2 A:HIS104 4.1 16.3 1.0 CA A:HIS104 4.2 15.5 1.0 CD2 A:HIS104 4.2 16.7 1.0 CD2 A:HIS83 4.2 15.0 1.0 NE2 A:HIS83 4.2 14.4 1.0 CG A:ARG84 4.4 18.6 1.0 CG A:TYR103 4.4 14.9 1.0 SG A:CYS81 4.4 14.5 1.0 CB A:ARG84 4.5 16.5 1.0 CD2 A:TYR103 4.5 15.2 1.0 CA A:HIS83 4.6 16.1 1.0 SG A:CYS101 4.6 15.2 1.0 C A:TYR103 4.6 15.6 1.0 C A:HIS83 4.7 16.3 1.0 CA A:ARG84 4.8 16.6 1.0 CA A:TYR103 4.9 15.4 1.0 C A:HIS104 4.9 16.4 1.0 CD1 A:TRP106 5.0 16.4 1.0

Iron binding site 3 out of 3 in the Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe913 b:14.7 occ:1.00 FE2 A:FES913 0.0 14.7 1.0 S2 A:FES913 2.2 15.1 1.0 S1 A:FES913 2.2 16.8 1.0 SG A:CYS81 2.3 14.5 1.0 SG A:CYS101 2.3 15.2 1.0 FE1 A:FES913 2.7 15.3 1.0 CB A:CYS101 3.1 15.6 1.0 CB A:CYS81 3.1 14.9 1.0 CB A:HIS83 4.1 15.8 1.0 CB A:TYR103 4.2 15.3 1.0 ND1 A:HIS83 4.5 13.8 1.0 N A:HIS104 4.5 15.8 1.0 ND1 A:HIS104 4.5 16.2 1.0 CA A:CYS101 4.6 15.8 1.0 CA A:CYS81 4.6 14.9 1.0 CB A:LYS86 4.6 16.6 1.0 N A:ARG84 4.7 16.2 1.0 CG A:HIS83 4.8 15.0 1.0 CB A:TRP106 4.8 16.2 1.0 N A:HIS83 4.9 16.4 1.0 N A:TYR103 4.9 15.6 1.0 CA A:HIS83 5.0 16.1 1.0

D.J.Ferraro, A.L.Okerlund, J.C.Mowers, S.Ramaswamy. Structural Basis For Regioselectivity and Stereoselectivity of Product Formation By Naphthalene 1,2-Dioxygenase. J.Bacteriol. V. 188 6986 2006.
ISSN: ISSN 0021-9193
PubMed: 16980501
DOI: 10.1128/JB.00707-06