Iron in PDB 8in2: 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris

All present enzymatic activity of 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris:
1.13.11.29;

The structure of 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris, PDB code: 8in2 was solved by C.C.Chiang, C.H.Hsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.02 / 3.08
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.873, 95.873, 124.908, 90, 90, 120
R / Rfree (%)	16.7 / 22

The binding sites of Iron atom in the 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris (pdb code 8in2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris, PDB code: 8in2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:38.5 occ:1.00 NE2 A:HIS15 1.8 40.5 1.0 NE2 A:HIS53 1.9 42.7 1.0 O A:HOH401 2.0 44.2 1.0 NE2 A:HIS229 2.1 41.0 1.0 CE1 A:HIS53 2.3 51.5 1.0 O A:HOH402 2.6 28.0 1.0 CE1 A:HIS15 2.7 45.2 1.0 CE1 A:HIS229 2.8 38.9 1.0 CD2 A:HIS15 3.0 48.5 1.0 O A:HOH403 3.2 34.8 1.0 CD2 A:HIS53 3.3 48.6 1.0 CD2 A:HIS229 3.3 43.3 1.0 ND1 A:HIS53 3.6 48.7 1.0 CE1 A:HIS175 3.8 39.6 1.0 ND1 A:HIS15 3.8 43.2 1.0 O A:GLY16 3.9 45.0 1.0 CG A:HIS15 4.0 39.8 1.0 ND1 A:HIS229 4.0 41.0 1.0 CG A:HIS53 4.1 43.1 1.0 NE2 A:HIS119 4.2 44.6 1.0 NE2 A:HIS175 4.3 47.4 1.0 CG A:HIS229 4.3 41.8 1.0 CE1 A:HIS119 4.6 47.6 1.0 ND1 A:HIS175 4.7 47.0 1.0

Iron binding site 2 out of 2 in the 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:56.4 occ:1.00 O B:HOH401 1.8 54.7 1.0 NE2 B:HIS15 1.9 51.5 1.0 NE2 B:HIS53 1.9 55.5 1.0 CE1 B:HIS53 2.2 63.0 1.0 CE1 B:HIS15 2.2 47.3 1.0 NE2 B:HIS229 2.3 51.4 1.0 O B:HOH402 2.5 43.8 1.0 CE1 B:HIS229 2.9 55.3 1.0 O B:HOH403 3.2 37.7 1.0 CD2 B:HIS15 3.2 62.1 1.0 CD2 B:HIS53 3.3 61.0 1.0 CD2 B:HIS229 3.5 52.5 1.0 ND1 B:HIS53 3.5 59.5 1.0 ND1 B:HIS15 3.5 48.2 1.0 NE2 B:HIS175 3.6 50.0 1.0 CG B:HIS15 4.0 51.0 1.0 CG B:HIS53 4.0 59.7 1.0 O B:GLY16 4.0 70.2 1.0 ND1 B:HIS229 4.1 55.3 1.0 NE2 B:HIS119 4.2 60.6 1.0 CD2 B:HIS175 4.3 53.8 1.0 CG B:HIS229 4.4 51.1 1.0 CE1 B:HIS175 4.6 59.3 1.0 CE1 B:HIS119 4.6 62.1 1.0

C.C.Chiang, C.H.Hsu. Crystal Structure of the 4,5-Dopa-Extradiol-Dioxygenase From Beta Vulgaris To Be Published.