Iron in PDB 5vxt: Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria, PDB code: 5vxt was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.080, 52.200, 105.190, 90.00, 106.62, 90.00
R / Rfree (%)	18.6 / 22.4

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria (pdb code 5vxt). 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 Catechol 1,2-Dioxygenase From Burkholderia Ambifaria, PDB code: 5vxt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria


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 Catechol 1,2-Dioxygenase From Burkholderia Ambifaria within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:21.9 occ:1.00 O3 A:CAQ403 2.0 32.7 1.0 OH A:TYR170 2.0 21.1 1.0 NE2 A:HIS232 2.0 19.8 1.0 NE2 A:HIS230 2.1 18.3 1.0 CD2 A:HIS232 2.9 21.8 1.0 CZ A:TYR170 3.0 22.4 1.0 O4 A:CAQ403 3.0 41.0 1.0 CD2 A:HIS230 3.1 18.4 1.0 CE1 A:HIS232 3.1 16.3 1.0 C3 A:CAQ403 3.1 44.4 1.0 CE1 A:HIS230 3.2 22.6 1.0 C4 A:CAQ403 3.5 47.0 1.0 CE1 A:TYR170 3.8 24.9 1.0 CE2 A:TYR170 3.8 17.7 1.0 O A:HOH562 4.1 19.5 1.0 NH1 A:ARG227 4.1 26.6 1.0 CG A:HIS232 4.1 14.5 1.0 ND1 A:HIS232 4.1 16.4 1.0 CG A:HIS230 4.2 18.4 1.0 ND1 A:HIS230 4.3 17.2 1.0 C2 A:CAQ403 4.3 48.9 1.0 O A:HOH633 4.4 17.0 1.0 C5 A:CAQ403 4.9 50.0 1.0 OE1 A:GLN246 5.0 23.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria


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 Catechol 1,2-Dioxygenase From Burkholderia Ambifaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:28.1 occ:0.83 OH B:TYR170 1.9 43.3 1.0 NE2 B:HIS230 2.0 36.4 1.0 NE2 B:HIS232 2.0 36.5 1.0 O3 B:CAQ403 2.3 53.8 1.0 O4 B:CAQ403 2.6 62.3 1.0 CD2 B:HIS232 2.9 34.8 1.0 CZ B:TYR170 3.0 37.1 1.0 CE1 B:HIS230 3.0 37.8 1.0 CD2 B:HIS230 3.1 31.0 1.0 CE1 B:HIS232 3.1 31.1 1.0 C3 B:CAQ403 3.2 58.9 1.0 C4 B:CAQ403 3.3 61.9 1.0 CE2 B:TYR170 3.8 30.5 1.0 CE1 B:TYR170 3.8 35.7 1.0 O B:HOH526 4.1 26.7 1.0 CG B:HIS232 4.1 35.2 1.0 ND1 B:HIS230 4.1 35.0 1.0 NH1 B:ARG227 4.1 46.3 1.0 ND1 B:HIS232 4.2 30.2 1.0 CG B:HIS230 4.2 31.4 1.0 O B:HOH553 4.3 27.8 1.0 C2 B:CAQ403 4.5 57.6 1.0 C5 B:CAQ403 4.6 62.8 1.0 CD1 B:LEU115 4.9 29.4 1.0 CD2 B:TYR170 5.0 37.2 1.0

J.N.Phan, D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Ambifaria To Be Published.