Iron in PDB 3dqy: Crystal Structure of Toluene 2,3-Dioxygenase Ferredoxin

The structure of Crystal Structure of Toluene 2,3-Dioxygenase Ferredoxin, PDB code: 3dqy was solved by R.Friemann, K.Lee, E.N.Brown, D.T.Gibson, H.Eklund, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.40 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.544, 52.090, 30.948, 90.00, 113.67, 90.00
R / Rfree (%)	18.3 / 19.5

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

Iron binding site 1 out of 2 in the Crystal Structure of Toluene 2,3-Dioxygenase Ferredoxin


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 Toluene 2,3-Dioxygenase Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.2 occ:1.00 FE1 A:FES107 0.0 16.2 1.0 ND1 A:HIS64 2.1 8.7 1.0 ND1 A:HIS44 2.1 8.4 1.0 S2 A:FES107 2.2 15.8 1.0 S1 A:FES107 2.2 15.7 1.0 FE2 A:FES107 2.7 14.6 1.0 CE1 A:HIS64 3.0 8.4 1.0 CE1 A:HIS44 3.1 7.9 1.0 CG A:HIS44 3.1 7.5 1.0 CG A:HIS64 3.1 8.0 1.0 CB A:HIS44 3.4 7.9 1.0 CB A:HIS64 3.5 8.4 1.0 N A:HIS64 4.0 8.5 1.0 NE2 A:HIS64 4.2 8.8 1.0 C A:HIS44 4.2 7.9 1.0 NE2 A:HIS44 4.2 9.0 1.0 CD2 A:HIS64 4.2 8.4 1.0 CD2 A:HIS44 4.2 8.8 1.0 CA A:HIS64 4.3 8.3 1.0 O A:HIS44 4.3 9.5 1.0 CA A:HIS44 4.4 7.8 1.0 SG A:CYS42 4.4 7.5 1.0 SG A:CYS61 4.4 9.2 1.0 N A:GLY45 4.5 8.2 1.0 CG A:PRO79 4.6 10.0 1.0 CB A:LEU63 4.7 9.3 1.0 C A:LEU63 4.9 8.5 1.0 CA A:GLY45 5.0 8.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Toluene 2,3-Dioxygenase Ferredoxin


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 Toluene 2,3-Dioxygenase Ferredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:14.6 occ:1.00 FE2 A:FES107 0.0 14.6 1.0 S1 A:FES107 2.2 15.7 1.0 S2 A:FES107 2.2 15.8 1.0 SG A:CYS61 2.3 9.2 1.0 SG A:CYS42 2.3 7.5 1.0 FE1 A:FES107 2.7 16.2 1.0 CB A:CYS61 3.2 9.4 1.0 CB A:CYS42 3.2 6.8 1.0 CB A:HIS44 4.1 7.9 1.0 ND1 A:HIS44 4.4 8.4 1.0 ND1 A:HIS64 4.4 8.7 1.0 CA A:CYS61 4.6 9.4 1.0 CA A:CYS42 4.7 7.2 1.0 N A:HIS64 4.7 8.5 1.0 N A:GLY45 4.7 8.2 1.0 CB A:LEU63 4.7 9.3 1.0 CG A:HIS44 4.8 7.5 1.0 N A:HIS44 4.8 7.5 1.0 CB A:TRP47 4.8 7.1 1.0 CA A:HIS44 4.9 7.8 1.0 C A:HIS44 5.0 7.9 1.0

R.Friemann, K.Lee, E.N.Brown, D.T.Gibson, H.Eklund, S.Ramaswamy. Structures of the Multicomponent Rieske Non-Heme Iron Toluene 2,3-Dioxygenase Enzyme System Acta Crystallogr.,Sect.D V. 65 24 2009.
ISSN: ISSN 0907-4449
PubMed: 19153463
DOI: 10.1107/S0907444908036524