Iron in PDB 1s9a: Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP

All present enzymatic activity of Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP:
1.13.11.1;

The structure of Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP, PDB code: 1s9a was solved by M.Ferraroni, I.P.Solyanikova, M.P.Kolomytseva, A.Scozzafava, L.A.Golovleva, F.Briganti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	158.10 / 2.47
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.328, 89.328, 313.395, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 29

The binding sites of Iron atom in the Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP (pdb code 1s9a). 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 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP, PDB code: 1s9a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP


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 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:45.9 occ:1.00 NE2 A:HIS194 2.0 44.4 1.0 O1 A:BEZ306 2.1 58.2 1.0 OH A:TYR134 2.2 44.6 1.0 NE2 A:HIS196 2.2 42.2 1.0 OH A:TYR169 2.2 58.4 1.0 O2 A:BEZ306 2.5 58.0 1.0 C A:BEZ306 2.7 57.5 1.0 CE1 A:HIS196 2.9 40.8 1.0 CE1 A:HIS194 3.0 43.6 1.0 CD2 A:HIS194 3.0 43.8 1.0 CZ A:TYR134 3.1 44.9 1.0 CZ A:TYR169 3.3 58.5 1.0 CD2 A:HIS196 3.4 39.9 1.0 CE2 A:TYR169 3.6 58.8 1.0 CE1 A:TYR134 3.6 43.2 1.0 O A:HOH464 3.9 47.7 1.0 ND1 A:HIS194 4.1 43.8 1.0 ND1 A:HIS196 4.1 40.0 1.0 NH1 A:ARG191 4.1 46.4 1.0 C1 A:BEZ306 4.1 56.9 1.0 CG A:HIS194 4.2 45.1 1.0 CE2 A:TYR134 4.2 45.0 1.0 CG A:HIS196 4.4 40.5 1.0 O A:HOH312 4.4 47.8 1.0 CE1 A:TYR169 4.6 56.2 1.0 C6 A:BEZ306 4.8 56.6 1.0 CD A:ARG191 4.9 48.4 1.0 CD1 A:TYR134 4.9 44.7 1.0 CD2 A:TYR169 5.0 57.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP


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 4-Chlorocatechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:55.0 occ:1.00 OH B:TYR134 1.8 53.6 1.0 OH B:TYR169 1.9 67.3 1.0 NE2 B:HIS194 2.0 55.1 1.0 NE2 B:HIS196 2.1 53.2 1.0 O1 B:BEZ307 2.5 64.1 1.0 O2 B:BEZ307 2.5 64.2 1.0 CE1 B:HIS196 2.8 54.6 1.0 C B:BEZ307 2.9 64.0 1.0 CZ B:TYR134 2.9 56.1 1.0 CE1 B:HIS194 3.0 54.0 1.0 CD2 B:HIS194 3.0 55.0 1.0 CZ B:TYR169 3.1 67.8 1.0 CD2 B:HIS196 3.3 53.9 1.0 CE2 B:TYR169 3.5 66.9 1.0 CE2 B:TYR134 3.5 58.0 1.0 O B:HOH426 3.7 66.0 1.0 CE1 B:TYR134 3.9 57.2 1.0 ND1 B:HIS196 4.0 54.9 1.0 ND1 B:HIS194 4.1 55.7 1.0 CG B:HIS194 4.2 55.9 1.0 CG B:HIS196 4.3 55.1 1.0 C1 B:BEZ307 4.3 64.1 1.0 CE1 B:TYR169 4.3 67.1 1.0 NH1 B:ARG191 4.4 61.4 1.0 O B:HOH310 4.6 47.5 1.0 CD2 B:TYR134 4.8 60.3 1.0 C6 B:BEZ307 4.9 63.6 1.0 CD2 B:PHE78 4.9 64.0 1.0 CD2 B:TYR169 4.9 66.0 1.0

M.Ferraroni, I.P.Solyanikova, M.P.Kolomytseva, A.Scozzafava, L.Golovleva, F.Briganti. Crystal Structure of 4-Chlorocatechol 1,2-Dioxygenase From the Chlorophenol-Utilizing Gram-Positive Rhodococcus Opacus 1CP. J.Biol.Chem. V. 279 27646 2004.
ISSN: ISSN 0021-9258
PubMed: 15060064
DOI: 10.1074/JBC.M401692200