Iron in PDB 8fu5: Crystal Structure of Fe-CAO1 in Complex with Piceatannol

The structure of Crystal Structure of Fe-CAO1 in Complex with Piceatannol, PDB code: 8fu5 was solved by P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.36 / 2.01
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.192, 101.192, 449.357, 90, 90, 120
R / Rfree (%)	17.1 / 19.6

The binding sites of Iron atom in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol (pdb code 8fu5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol, PDB code: 8fu5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol


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 Fe-CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:33.0 occ:0.56 NE2 A:HIS248 2.0 27.6 1.0 NE2 A:HIS313 2.0 25.0 1.0 NE2 A:HIS510 2.2 27.7 1.0 O A:HOH930 2.2 33.9 0.6 NE2 A:HIS197 2.3 27.4 1.0 CE1 A:HIS248 2.9 28.7 1.0 CD2 A:HIS313 3.0 25.6 1.0 CE1 A:HIS313 3.1 26.3 1.0 CD2 A:HIS248 3.1 26.8 1.0 CD2 A:HIS510 3.1 26.1 1.0 CE1 A:HIS510 3.1 27.6 1.0 CE1 A:HIS197 3.2 28.1 1.0 CD2 A:HIS197 3.3 26.0 1.0 ND1 A:HIS248 4.0 28.6 1.0 CG A:HIS313 4.1 26.1 1.0 ND1 A:HIS313 4.1 27.3 1.0 CG A:HIS248 4.1 27.9 1.0 CG A:HIS510 4.2 24.6 1.0 ND1 A:HIS510 4.2 24.9 1.0 C7 A:PIT602 4.2 33.3 0.9 C8 A:PIT602 4.3 33.8 0.9 ND1 A:HIS197 4.3 26.5 1.0 CG A:HIS197 4.4 25.9 1.0 CG2 A:THR151 4.4 25.1 1.0 C6 A:PIT602 4.5 32.1 0.9 C5 A:PIT602 4.5 33.2 0.9

Iron binding site 2 out of 4 in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol


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 Fe-CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:34.2 occ:0.57 NE2 B:HIS248 2.0 27.9 1.0 NE2 B:HIS313 2.0 23.5 1.0 NE2 B:HIS510 2.1 29.7 1.0 O B:HOH910 2.2 39.9 0.6 NE2 B:HIS197 2.3 22.8 1.0 CE1 B:HIS248 2.9 29.7 1.0 CD2 B:HIS313 2.9 24.4 1.0 CD2 B:HIS510 3.0 30.3 1.0 CE1 B:HIS313 3.0 24.8 1.0 CD2 B:HIS248 3.1 27.5 1.0 CE1 B:HIS510 3.1 29.9 1.0 CE1 B:HIS197 3.2 23.0 1.0 CD2 B:HIS197 3.3 23.4 1.0 ND1 B:HIS248 4.1 28.8 1.0 CG B:HIS313 4.1 23.8 1.0 ND1 B:HIS313 4.1 23.2 1.0 ND1 B:HIS510 4.2 28.5 1.0 CG B:HIS510 4.2 29.8 1.0 CG B:HIS248 4.2 28.5 1.0 C7 B:PIT602 4.2 34.4 0.9 C8 B:PIT602 4.3 33.9 0.9 ND1 B:HIS197 4.3 22.3 1.0 C6 B:PIT602 4.3 33.6 0.9 CG B:HIS197 4.4 22.8 1.0 C5 B:PIT602 4.4 34.5 0.9 CG2 B:THR151 4.5 24.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Fe-CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:38.0 occ:0.57 NE2 C:HIS248 2.0 28.7 1.0 NE2 C:HIS313 2.1 24.1 1.0 NE2 C:HIS510 2.2 32.1 1.0 NE2 C:HIS197 2.3 28.0 1.0 O C:HOH1038 2.3 43.9 0.6 CE1 C:HIS248 2.8 28.9 1.0 CD2 C:HIS313 3.0 25.1 1.0 CD2 C:HIS248 3.0 28.1 1.0 CD2 C:HIS510 3.0 31.1 1.0 CE1 C:HIS313 3.1 26.1 1.0 CE1 C:HIS510 3.1 32.1 1.0 CE1 C:HIS197 3.2 28.9 1.0 CD2 C:HIS197 3.3 28.4 1.0 ND1 C:HIS248 4.0 28.9 1.0 CG C:HIS248 4.1 28.9 1.0 CG C:HIS313 4.2 26.4 1.0 ND1 C:HIS313 4.2 25.2 1.0 CG C:HIS510 4.2 29.8 1.0 ND1 C:HIS510 4.2 27.7 1.0 C8 C:PIT602 4.2 36.5 1.0 C7 C:PIT602 4.2 34.4 1.0 ND1 C:HIS197 4.4 28.6 1.0 C6 C:PIT602 4.4 33.9 1.0 CG C:HIS197 4.4 28.2 1.0 CG2 C:THR151 4.5 23.2 1.0 C5 C:PIT602 4.5 33.2 1.0 C9 C:PIT602 4.9 38.7 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Fe-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Fe-CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:29.0 occ:0.54 NE2 D:HIS248 2.0 27.3 1.0 NE2 D:HIS313 2.0 25.2 1.0 NE2 D:HIS510 2.1 23.2 1.0 O D:HOH1033 2.2 28.5 0.5 NE2 D:HIS197 2.3 23.8 1.0 CE1 D:HIS248 2.9 27.1 1.0 CD2 D:HIS313 3.0 24.2 1.0 CD2 D:HIS510 3.0 23.9 1.0 CE1 D:HIS313 3.0 25.1 1.0 CE1 D:HIS510 3.1 24.7 1.0 CD2 D:HIS248 3.1 26.6 1.0 CE1 D:HIS197 3.2 23.3 1.0 CD2 D:HIS197 3.3 23.4 1.0 ND1 D:HIS248 4.1 27.0 1.0 CG D:HIS313 4.1 24.5 1.0 ND1 D:HIS313 4.1 23.7 1.0 ND1 D:HIS510 4.2 24.0 1.0 CG D:HIS510 4.2 23.4 1.0 CG D:HIS248 4.2 27.4 1.0 C7 D:PIT602 4.3 28.4 0.9 ND1 D:HIS197 4.3 23.2 1.0 C8 D:PIT602 4.4 28.0 0.9 CG D:HIS197 4.4 23.3 1.0 CG2 D:THR151 4.5 25.2 1.0 C6 D:PIT602 4.5 28.3 0.9 C5 D:PIT602 4.6 28.2 0.9

P.D.Kiser, P.D.Kiser. N/A N/A.