Iron in PDB 3vsh: Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase

All present enzymatic activity of Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase:
1.13.11.8;

The structure of Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase, PDB code: 3vsh was solved by D.F.Li, Y.J.Hou, Y.Hu, D.C.Wang, W.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.93 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	265.390, 47.470, 107.380, 90.00, 109.47, 90.00
R / Rfree (%)	17.5 / 24.7

The binding sites of Iron atom in the Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase (pdb code 3vsh). 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 Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase, PDB code: 3vsh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- 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 Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:56.5 occ:1.00 OE2 B:GLU251 2.3 30.1 1.0 NE2 B:HIS13 2.6 26.3 1.0 NE2 B:HIS62 2.7 23.5 1.0 CD B:GLU251 3.3 29.6 1.0 CD2 B:HIS13 3.4 26.7 1.0 NE2 B:HIS195 3.5 42.6 1.0 CE1 B:HIS13 3.6 26.5 1.0 CE1 B:HIS62 3.6 24.9 1.0 O B:HOH602 3.6 16.2 1.0 OE1 B:GLU251 3.7 31.7 1.0 CD2 B:HIS62 3.8 23.2 1.0 O B:HOH529 4.0 25.0 1.0 CD2 B:HIS195 4.2 40.8 1.0 O B:HOH630 4.3 43.0 1.0 O B:HOH624 4.3 25.6 1.0 CE1 B:HIS195 4.4 41.5 1.0 CG B:GLU251 4.5 28.0 1.0 CG B:HIS13 4.6 26.8 1.0 ND1 B:HIS13 4.6 25.3 1.0 ND1 B:HIS62 4.8 25.0 1.0 CG B:HIS62 4.9 24.4 1.0 OG1 B:THR192 4.9 28.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase


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 Native 1,6-Apd (with Iron), 2-Animophenol-1,6- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:65.7 occ:1.00 OE2 D:GLU251 2.3 33.9 1.0 NE2 D:HIS13 2.4 33.3 1.0 NE2 D:HIS62 2.4 36.7 1.0 CE1 D:HIS62 3.2 34.8 1.0 CE1 D:HIS13 3.2 33.6 1.0 CD D:GLU251 3.3 31.1 1.0 CD2 D:HIS13 3.4 32.1 1.0 NE2 D:HIS195 3.5 39.9 1.0 CD2 D:HIS62 3.5 34.3 1.0 O D:HOH609 3.6 29.5 1.0 OE1 D:GLU251 3.7 32.0 1.0 O D:HOH610 4.3 34.1 1.0 ND1 D:HIS13 4.4 32.9 1.0 ND1 D:HIS62 4.4 33.9 1.0 CE1 D:HIS195 4.4 39.8 1.0 CD2 D:HIS195 4.4 39.4 1.0 CG D:HIS13 4.5 31.4 1.0 O D:HOH599 4.5 26.6 1.0 CG D:GLU251 4.6 27.7 1.0 CG D:HIS62 4.6 32.8 1.0 O D:HOH614 4.7 56.0 1.0

D.F.Li, J.Y.Zhang, Y.J.Hou, L.Liu, Y.Hu, S.J.Liu, D.C.Wang, W.Liu. Structures of Aminophenol Dioxygenase in Complex with Intermediate, Product and Inhibitor Acta Crystallogr.,Sect.D V. 69 32 2013.
ISSN: ISSN 0907-4449
PubMed: 23275161
DOI: 10.1107/S0907444912042072