Iron in PDB 4tlf: Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa

The structure of Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa, PDB code: 4tlf was solved by M.Fellner, E.P.Tchesnokov, G.N.L.Jameson, S.M.Wilbanks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.30 / 2.14
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.942, 66.942, 377.354, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.1

The binding sites of Iron atom in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa (pdb code 4tlf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa, PDB code: 4tlf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa


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 Thiol Dioxygenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:26.4 occ:1.00 NE2 A:HIS89 2.3 19.8 1.0 NE2 A:HIS91 2.3 24.5 1.0 O A:HOH435 2.4 26.0 1.0 NE2 A:HIS142 2.4 23.5 1.0 O A:HOH511 2.6 17.7 1.0 O A:HOH537 2.8 20.3 1.0 CD2 A:HIS91 3.2 22.6 1.0 CE1 A:HIS89 3.3 22.9 1.0 CD2 A:HIS89 3.3 20.9 1.0 CE1 A:HIS91 3.3 20.5 1.0 CE1 A:HIS142 3.3 22.0 1.0 CD2 A:HIS142 3.5 24.7 1.0 OH A:TYR159 4.1 26.5 1.0 CG A:HIS91 4.4 24.2 1.0 ND1 A:HIS89 4.4 25.0 1.0 ND1 A:HIS91 4.4 21.1 1.0 CG A:HIS89 4.4 25.8 1.0 ND1 A:HIS142 4.5 26.4 1.0 CG A:HIS142 4.6 25.4 1.0 CG2 A:VAL144 4.6 25.0 1.0 NH1 A:ARG168 4.7 16.5 1.0 CD2 A:LEU134 4.8 21.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa


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 Thiol Dioxygenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:25.2 occ:1.00 O B:HOH433 2.3 22.5 1.0 NE2 B:HIS91 2.3 19.8 1.0 NE2 B:HIS89 2.3 15.9 1.0 NE2 B:HIS142 2.5 17.9 1.0 O B:HOH521 2.6 19.3 1.0 O B:HOH537 2.7 25.8 1.0 CE1 B:HIS91 3.2 19.8 1.0 CD2 B:HIS89 3.3 15.9 1.0 CE1 B:HIS89 3.3 21.6 1.0 CD2 B:HIS91 3.3 14.4 1.0 CE1 B:HIS142 3.4 26.5 1.0 CD2 B:HIS142 3.5 18.5 1.0 OH B:TYR159 4.2 24.5 1.0 ND1 B:HIS91 4.4 18.4 1.0 ND1 B:HIS89 4.4 21.7 1.0 CG B:HIS89 4.4 17.6 1.0 CG B:HIS91 4.5 20.8 1.0 ND1 B:HIS142 4.6 19.7 1.0 CG B:HIS142 4.6 19.8 1.0 CG2 B:VAL144 4.6 22.2 1.0 NH1 B:ARG168 4.7 18.5 1.0 CD2 B:LEU134 4.9 26.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa


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 Thiol Dioxygenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:22.4 occ:1.00 NE2 C:HIS89 2.3 24.9 1.0 NE2 C:HIS142 2.3 24.4 1.0 O C:HOH440 2.4 21.4 1.0 NE2 C:HIS91 2.4 24.0 1.0 O C:HOH510 2.7 18.5 1.0 O C:HOH539 3.1 11.1 1.0 CE1 C:HIS142 3.1 24.1 1.0 CE1 C:HIS89 3.2 18.2 1.0 CD2 C:HIS91 3.3 22.5 1.0 CD2 C:HIS89 3.3 16.3 1.0 CE1 C:HIS91 3.4 23.9 1.0 CD2 C:HIS142 3.5 24.2 1.0 OH C:TYR159 4.0 18.8 1.0 ND1 C:HIS142 4.3 28.0 1.0 ND1 C:HIS89 4.3 21.6 1.0 CG C:HIS89 4.4 17.8 1.0 CG C:HIS91 4.5 30.1 1.0 CG C:HIS142 4.5 22.7 1.0 ND1 C:HIS91 4.5 21.5 1.0 CG2 C:VAL144 4.6 18.3 1.0 NH1 C:ARG168 4.9 14.2 1.0 CD2 C:LEU134 5.0 29.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Thiol Dioxygenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:30.0 occ:1.00 NE2 D:HIS91 2.3 22.1 1.0 NE2 D:HIS89 2.3 23.3 1.0 NE2 D:HIS142 2.5 23.1 1.0 O D:HOH434 2.5 21.9 1.0 O D:HOH509 2.7 20.2 1.0 O D:HOH499 2.8 18.7 1.0 CE1 D:HIS91 3.2 21.0 1.0 CD2 D:HIS89 3.2 20.1 1.0 CD2 D:HIS142 3.3 19.6 1.0 CE1 D:HIS89 3.4 20.8 1.0 CD2 D:HIS91 3.4 23.2 1.0 CE1 D:HIS142 3.5 20.1 1.0 OH D:TYR159 4.0 22.9 1.0 ND1 D:HIS91 4.3 21.3 1.0 CG D:HIS89 4.4 22.7 1.0 ND1 D:HIS89 4.4 23.4 1.0 CG D:HIS91 4.5 22.5 1.0 CG D:HIS142 4.5 22.9 1.0 ND1 D:HIS142 4.6 25.7 1.0 CG2 D:VAL144 4.6 20.2 1.0 NH1 D:ARG168 4.9 18.2 1.0 CD2 D:LEU134 5.0 28.5 1.0

E.P.Tchesnokov, M.Fellner, E.Siakkou, T.Kleffmann, L.W.Martin, S.Aloi, I.L.Lamont, S.M.Wilbanks, G.N.Jameson. The Cysteine Dioxygenase Homologue From Pseudomonas Aeruginosa Is A 3-Mercaptopropionate Dioxygenase. J.Biol.Chem. V. 290 24424 2015.
ISSN: ESSN 1083-351X
PubMed: 26272617
DOI: 10.1074/JBC.M114.635672