Iron in PDB 5bok: Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2

The structure of Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2, PDB code: 5bok was solved by S.Ramaswamy, A.Kumari, D.Singh, R.Gurunath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.74 / 2.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.530, 79.530, 108.970, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 26.2

The binding sites of Iron atom in the Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2 (pdb code 5bok). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2, PDB code: 5bok:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:55.0 occ:1.00 FE1 A:FES201 0.0 55.0 1.0 S2 A:FES201 2.2 63.5 1.0 S1 A:FES201 2.2 60.9 1.0 SG A:CYS64 2.3 53.6 1.0 SG A:CYS45 2.3 55.5 1.0 FE2 A:FES201 3.0 64.6 1.0 CB A:CYS64 3.1 53.3 1.0 CB A:CYS45 3.3 48.6 1.0 CB A:HIS47 3.9 55.1 1.0 CB A:ALA50 4.0 58.4 1.0 ND1 A:HIS67 4.2 76.5 1.0 CB A:LEU66 4.5 65.7 1.0 CA A:CYS64 4.5 50.8 1.0 CD2 A:LEU83 4.6 45.2 1.0 N A:HIS67 4.6 59.5 1.0 N A:GLY48 4.7 55.5 1.0 CA A:CYS45 4.7 49.9 1.0 ND1 A:HIS47 4.8 56.5 1.0 N A:HIS47 4.8 52.5 1.0 CG A:HIS47 4.8 60.1 1.0 CA A:HIS47 4.8 54.3 1.0

Iron binding site 2 out of 3 in the Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:64.6 occ:1.00 FE2 A:FES201 0.0 64.6 1.0 ND1 A:HIS47 2.1 56.5 1.0 ND1 A:HIS67 2.1 76.5 1.0 S2 A:FES201 2.2 63.5 1.0 S1 A:FES201 2.2 60.9 1.0 CG A:HIS47 2.8 60.1 1.0 CE1 A:HIS67 2.9 74.4 1.0 CB A:HIS47 3.0 55.1 1.0 FE1 A:FES201 3.0 55.0 1.0 CE1 A:HIS47 3.1 55.0 1.0 CG A:HIS67 3.1 77.4 1.0 CB A:HIS67 3.6 65.4 1.0 CD2 A:HIS47 4.0 63.0 1.0 NE2 A:HIS67 4.0 79.5 1.0 CG A:PRO82 4.0 52.1 1.0 C A:HIS47 4.1 55.3 1.0 NE2 A:HIS47 4.1 58.9 1.0 CA A:HIS47 4.1 54.3 1.0 CD2 A:HIS67 4.2 72.0 1.0 O A:HIS47 4.2 51.7 1.0 N A:GLY48 4.4 55.5 1.0 SG A:CYS45 4.4 55.5 1.0 N A:HIS67 4.5 59.5 1.0 CA A:HIS67 4.7 60.8 1.0 CB A:LEU66 4.8 65.7 1.0 SG A:CYS64 4.8 53.6 1.0 CD2 A:LEU66 4.9 65.8 1.0 CA A:GLY48 4.9 59.8 1.0 CB A:PRO82 4.9 51.9 1.0

Iron binding site 3 out of 3 in the Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:54.8 occ:1.00 OE2 A:GLU58 2.8 35.1 1.0 OE1 A:GLU58 2.8 37.8 1.0 CD A:GLU58 3.1 38.6 1.0 O A:HOH315 4.2 45.4 1.0 CZ A:PHE56 4.4 41.5 0.6 O A:HOH309 4.5 46.6 1.0 CG A:GLU58 4.6 43.2 1.0 CE1 A:PHE56 4.9 47.7 0.6

S.Ramaswamy, A.Kumari, D.Singh, R.Qurunath. Ferredoxin Component of 3-Nitrotoluene Dioxygenase From Diaphorobacter Sp. Strain DS2 To Be Published.