Iron in PDB 2xsr: Crystal Structure of Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase

The structure of Crystal Structure of Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase, PDB code: 2xsr was solved by C.Micalella, S.Martignon, S.Bruno, M.Rizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.48 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.645, 79.447, 83.530, 90.00, 132.50, 90.00
R / Rfree (%)	17.3 / 20.4

The binding sites of Iron atom in the Crystal Structure of Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase (pdb code 2xsr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase, PDB code: 2xsr:

Iron binding site 1 out of 1 in the Crystal Structure of Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase


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 Wild Type Acinetobacter Radioresistens Catechol 1,2 Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1307 b:21.1 occ:1.00 OH A:TYR161 2.0 14.0 1.0 NE2 A:HIS221 2.0 12.4 1.0 NE2 A:HIS219 2.1 11.6 1.0 O A:HOH2165 2.4 21.0 1.0 OH A:TYR195 2.5 28.7 1.0 CD2 A:HIS221 3.0 12.1 1.0 CE1 A:HIS221 3.0 11.8 1.0 CZ A:TYR161 3.0 14.4 1.0 CE1 A:HIS219 3.0 11.4 1.0 CD2 A:HIS219 3.1 11.9 1.0 CZ A:TYR195 3.7 27.4 1.0 NH1 A:ARG216 3.8 17.3 1.0 CE2 A:TYR161 3.8 13.4 1.0 CE1 A:TYR161 3.9 13.6 1.0 O A:HOH2145 4.0 11.3 1.0 ND1 A:HIS221 4.1 12.0 1.0 CG A:HIS221 4.1 9.1 1.0 CE2 A:TYR195 4.1 27.6 1.0 ND1 A:HIS219 4.2 13.0 1.0 CG A:HIS219 4.2 10.9 1.0 O A:HOH2097 4.4 12.7 1.0 CE1 A:TYR195 4.8 28.1 1.0 CZ A:ARG216 4.9 18.1 1.0

C.Micalella, S.Martignon, S.Bruno, B.Pioselli, R.Caglio, F.Valetti, E.Pessione, C.Giunta, M.Rizzi. X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase. Biochim.Biophys.Acta V.1814 817 2011.
ISSN: ISSN 0006-3002
PubMed: 20869471
DOI: 10.1016/J.BBAPAP.2010.09.008