Iron in PDB 2hmn: Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.

All present enzymatic activity of Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.:
1.14.12.12;

The structure of Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene., PDB code: 2hmn 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)	16.91 / 1.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.457, 139.457, 208.219, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 19.4

The binding sites of Iron atom in the Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene. (pdb code 2hmn). 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 F352V Mutant Bound to Anthracene., PDB code: 2hmn:
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 F352V Mutant Bound to Anthracene.


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 F352V Mutant Bound to Anthracene. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe450 b:28.1 occ:1.00 O A:HOH900 2.0 10.0 1.0 NE2 A:HIS213 2.1 23.7 1.0 NE2 A:HIS208 2.2 25.2 1.0 OD1 A:ASP362 2.2 27.8 1.0 OD2 A:ASP362 2.4 29.7 1.0 CG A:ASP362 2.6 26.2 1.0 CE1 A:HIS213 3.0 23.7 1.0 CD2 A:HIS208 3.0 26.2 1.0 CD2 A:HIS213 3.1 25.5 1.0 CE1 A:HIS208 3.2 25.5 1.0 ND2 A:ASN201 3.7 26.6 1.0 O A:HOH1128 3.8 18.2 1.0 O A:HOH994 3.9 12.2 1.0 CB A:ASP362 4.1 25.7 1.0 ND1 A:HIS213 4.1 24.7 1.0 CG A:HIS213 4.2 25.9 1.0 CG A:HIS208 4.2 26.0 1.0 O A:HOH968 4.3 11.7 1.0 ND1 A:HIS208 4.3 25.8 1.0 OD1 A:ASN201 4.4 27.8 1.0 CG2 A:THR212 4.5 25.6 1.0 CG A:ASN201 4.5 23.1 1.0 C9 A:AN3701 4.5 25.8 0.5 C7 A:AN3701 4.5 25.8 0.5 CA A:ASP362 5.0 25.4 1.0

Iron binding site 2 out of 3 in the Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.


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 F352V Mutant Bound to Anthracene. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe725 b:19.9 occ:1.00 FE1 A:FES725 0.0 19.9 1.0 ND1 A:HIS104 2.1 18.2 1.0 ND1 A:HIS83 2.1 21.2 1.0 S1 A:FES725 2.2 20.7 1.0 S2 A:FES725 2.2 19.1 1.0 FE2 A:FES725 2.7 18.4 1.0 CE1 A:HIS104 3.0 18.7 1.0 CG A:HIS104 3.1 19.4 1.0 CG A:HIS83 3.1 22.0 1.0 CE1 A:HIS83 3.1 23.0 1.0 CB A:HIS83 3.4 22.4 1.0 CB A:HIS104 3.4 21.1 1.0 N A:HIS104 3.8 21.3 1.0 CB A:TYR103 4.1 20.0 1.0 N A:ARG84 4.1 21.8 1.0 NE2 A:HIS104 4.1 20.8 1.0 CD2 A:HIS104 4.2 19.8 1.0 CA A:HIS104 4.2 21.4 1.0 NE2 A:HIS83 4.3 21.1 1.0 CD2 A:HIS83 4.3 22.5 1.0 CG A:ARG84 4.3 24.6 1.0 SG A:CYS81 4.4 17.9 1.0 CG A:TYR103 4.4 20.1 1.0 CB A:ARG84 4.5 21.6 1.0 SG A:CYS101 4.5 18.8 1.0 CD2 A:TYR103 4.5 19.4 1.0 CA A:HIS83 4.6 22.0 1.0 C A:TYR103 4.7 20.7 1.0 C A:HIS83 4.8 21.9 1.0 CA A:ARG84 4.9 21.9 1.0 CA A:TYR103 4.9 20.7 1.0 C A:HIS104 4.9 22.7 1.0 CD1 A:TRP106 5.0 22.6 1.0

Iron binding site 3 out of 3 in the Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.


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 F352V Mutant Bound to Anthracene. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe725 b:18.4 occ:1.00 FE2 A:FES725 0.0 18.4 1.0 S1 A:FES725 2.2 20.7 1.0 S2 A:FES725 2.2 19.1 1.0 SG A:CYS81 2.3 17.9 1.0 SG A:CYS101 2.3 18.8 1.0 FE1 A:FES725 2.7 19.9 1.0 CB A:CYS101 3.1 19.9 1.0 CB A:CYS81 3.1 17.7 1.0 CB A:HIS83 4.1 22.4 1.0 CB A:TYR103 4.2 20.0 1.0 ND1 A:HIS83 4.4 21.2 1.0 ND1 A:HIS104 4.5 18.2 1.0 N A:HIS104 4.5 21.3 1.0 CA A:CYS101 4.6 20.5 1.0 CB A:LYS86 4.6 21.2 1.0 CA A:CYS81 4.6 18.6 1.0 N A:ARG84 4.7 21.8 1.0 CB A:TRP106 4.7 22.4 1.0 CG A:HIS83 4.8 22.0 1.0 N A:TYR103 4.9 20.7 1.0 N A:HIS83 5.0 21.9 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