Iron in PDB 9dr8: Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound)

All present enzymatic activity of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound):
1.13.11.1;

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound), PDB code: 9dr8 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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)	57.68 / 1.42
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.467, 52.327, 120.396, 90, 92.5, 90
R / Rfree (%)	14.4 / 17.3

The structure of Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound) also contains other interesting chemical elements:

Calcium

(Ca)

7 atoms

The binding sites of Iron atom in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound) (pdb code 9dr8). 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 Multivorans (Iron Bound), PDB code: 9dr8:
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 Multivorans (Iron Bound)


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 Multivorans (Iron Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:13.9 occ:1.00 OH A:TYR164 2.0 14.7 1.0 O A:HOH545 2.1 24.6 1.0 NE2 A:HIS226 2.1 14.0 1.0 OH A:TYR200 2.1 21.2 1.0 NE2 A:HIS224 2.1 13.8 1.0 CZ A:TYR164 3.0 13.4 1.0 CE1 A:HIS224 3.0 14.0 1.0 CD2 A:HIS226 3.1 12.7 1.0 CE1 A:HIS226 3.1 13.7 1.0 CD2 A:HIS224 3.2 12.9 1.0 CZ A:TYR200 3.2 20.3 1.0 CE1 A:TYR200 3.6 20.4 1.0 NH1 A:ARG221 3.6 21.5 0.3 NH1 A:ARG221 3.7 17.3 0.7 CE1 A:TYR164 3.7 14.0 1.0 O A:HOH597 3.9 35.9 1.0 CE2 A:TYR164 3.9 12.8 1.0 O A:HOH542 4.1 12.4 1.0 ND1 A:HIS224 4.2 14.2 1.0 ND1 A:HIS226 4.2 13.3 1.0 CG A:HIS226 4.2 12.1 1.0 CG A:HIS224 4.3 12.6 1.0 O A:HOH685 4.3 13.5 1.0 CE2 A:TYR200 4.4 20.5 1.0 CZ A:ARG221 4.7 15.0 0.7 CZ A:ARG221 4.8 21.1 0.3 CD1 A:LEU109 4.9 21.2 1.0 CD A:ARG221 5.0 14.3 0.7 CD1 A:TYR164 5.0 14.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound)


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 Multivorans (Iron Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:14.9 occ:1.00 OH B:TYR164 1.9 14.7 1.0 NE2 B:HIS226 2.1 14.6 1.0 O B:HOH524 2.1 22.6 1.0 NE2 B:HIS224 2.1 15.1 1.0 OH B:TYR200 2.1 19.4 1.0 CZ B:TYR164 3.0 15.1 1.0 CE1 B:HIS224 3.1 16.3 1.0 CE1 B:HIS226 3.1 14.8 1.0 CD2 B:HIS226 3.1 13.6 1.0 CD2 B:HIS224 3.2 15.5 1.0 CZ B:TYR200 3.2 19.3 1.0 NH1 B:ARG221 3.6 22.3 0.3 CE2 B:TYR200 3.6 18.2 1.0 NH1 B:ARG221 3.7 20.6 0.7 CE1 B:TYR164 3.7 16.1 1.0 CE2 B:TYR164 3.9 14.6 1.0 O B:HOH533 4.1 13.9 1.0 ND1 B:HIS224 4.2 15.1 1.0 ND1 B:HIS226 4.2 14.9 1.0 CG B:HIS226 4.3 13.6 1.0 CG B:HIS224 4.3 13.6 1.0 O B:HOH678 4.4 13.8 1.0 CE1 B:TYR200 4.4 19.6 1.0 CZ B:ARG221 4.7 17.7 0.7 CZ B:ARG221 4.8 22.0 0.3 CD1 B:LEU109 4.9 22.9 1.0 CD1 B:TYR164 5.0 15.6 1.0 CD2 B:TYR200 5.0 18.5 1.0

L.Liu, P.Enayati, S.Lovell, G.W.Buchko, K.P.Battaile. Crystal Structure of Catechol 1,2-Dioxygenase From Burkholderia Multivorans (Iron Bound) To Be Published.