Iron in PDB 1kb0: Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni

The structure of Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni, PDB code: 1kb0 was solved by H.J.Rozeboom, A.Oubrie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.63 / 1.44
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.920, 74.331, 92.332, 90.00, 105.67, 90.00
R / Rfree (%)	16 / 18.8

The structure of Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni (pdb code 1kb0). 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 Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni, PDB code: 1kb0:

Iron binding site 1 out of 1 in the Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni


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 Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:13.4 occ:1.00 FE A:HEC802 0.0 13.4 1.0 NA A:HEC802 2.0 14.3 1.0 NC A:HEC802 2.0 12.3 1.0 NB A:HEC802 2.0 13.1 1.0 ND A:HEC802 2.0 13.9 1.0 NE2 A:HIS608 2.1 12.3 1.0 SD A:MET647 2.3 14.4 1.0 C1B A:HEC802 3.0 12.4 1.0 C1C A:HEC802 3.0 11.4 1.0 CD2 A:HIS608 3.0 13.4 1.0 C1A A:HEC802 3.0 15.1 1.0 C4B A:HEC802 3.0 11.9 1.0 C4A A:HEC802 3.0 13.9 1.0 CE1 A:HIS608 3.1 13.2 1.0 C4C A:HEC802 3.1 13.0 1.0 C1D A:HEC802 3.1 13.8 1.0 C4D A:HEC802 3.1 14.7 1.0 CE A:MET647 3.3 14.3 1.0 CHB A:HEC802 3.4 12.9 1.0 CHC A:HEC802 3.4 12.2 1.0 CHD A:HEC802 3.4 12.6 1.0 CHA A:HEC802 3.4 16.0 1.0 CG A:MET647 3.6 13.0 1.0 ND1 A:HIS608 4.2 12.6 1.0 CB A:MET647 4.2 14.8 1.0 CG A:HIS608 4.2 12.7 1.0 C3C A:HEC802 4.2 13.0 1.0 C2B A:HEC802 4.2 12.1 1.0 C2A A:HEC802 4.2 16.4 1.0 C3B A:HEC802 4.2 11.6 1.0 C3A A:HEC802 4.2 14.8 1.0 C3D A:HEC802 4.2 14.9 1.0 C2D A:HEC802 4.3 14.3 1.0 C2C A:HEC802 4.3 11.2 1.0 CA A:MET647 4.5 14.0 1.0 CD A:PRO648 4.8 13.8 1.0

A.Oubrie, H.J.Rozeboom, K.H.Kalk, E.G.Huizinga, B.W.Dijkstra. Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase From Comamonas Testosteroni: Structural Basis For Substrate Oxidation and Electron Transfer. J.Biol.Chem. V. 277 3727 2002.
ISSN: ISSN 0021-9258
PubMed: 11714714
DOI: 10.1074/JBC.M109403200