Iron in PDB 8fu2: Crystal Structure of T151G CAO1 in Complex with Piceatannol

The structure of Crystal Structure of T151G CAO1 in Complex with Piceatannol, PDB code: 8fu2 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)	49.99 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.305, 101.305, 449.871, 90, 90, 120
R / Rfree (%)	17.1 / 19.3

The binding sites of Iron atom in the Crystal Structure of T151G CAO1 in Complex with Piceatannol (pdb code 8fu2). 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 T151G CAO1 in Complex with Piceatannol, PDB code: 8fu2:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of T151G 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 T151G CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:27.8 occ:0.63 NE2 A:HIS248 2.0 27.9 1.0 O A:HOH1042 2.1 22.9 0.6 NE2 A:HIS510 2.2 28.2 1.0 O A:HOH1037 2.2 28.9 0.6 NE2 A:HIS197 2.2 26.5 1.0 NE2 A:HIS313 2.2 24.6 1.0 CE1 A:HIS248 2.9 28.0 1.0 CD2 A:HIS510 3.0 25.9 1.0 CD2 A:HIS248 3.1 26.5 1.0 CD2 A:HIS313 3.1 24.7 1.0 CE1 A:HIS197 3.1 29.6 1.0 CE1 A:HIS510 3.2 26.9 1.0 CE1 A:HIS313 3.2 24.6 1.0 CD2 A:HIS197 3.3 27.3 1.0 ND1 A:HIS248 4.1 27.7 1.0 CG A:HIS510 4.2 27.1 1.0 CG A:HIS248 4.2 26.8 1.0 ND1 A:HIS510 4.3 25.9 1.0 CG A:HIS313 4.3 26.1 1.0 C7 A:PIT602 4.3 45.5 0.9 ND1 A:HIS197 4.3 28.3 1.0 ND1 A:HIS313 4.3 27.3 1.0 CG A:HIS197 4.4 27.2 1.0 C8 A:PIT602 4.4 45.6 0.9 C6 A:PIT602 4.6 38.9 0.9 C5 A:PIT602 4.6 41.9 0.9

Iron binding site 2 out of 4 in the Crystal Structure of T151G 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 T151G CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:28.6 occ:0.66 O B:HOH985 2.0 29.9 0.7 NE2 B:HIS248 2.1 27.4 1.0 NE2 B:HIS510 2.1 30.7 1.0 NE2 B:HIS197 2.2 23.8 1.0 NE2 B:HIS313 2.2 23.7 1.0 O B:HOH1101 2.3 26.8 0.7 CE1 B:HIS248 3.0 27.9 1.0 CD2 B:HIS510 3.0 30.4 1.0 CD2 B:HIS313 3.1 25.0 1.0 CE1 B:HIS197 3.1 24.4 1.0 CD2 B:HIS248 3.1 26.1 1.0 CE1 B:HIS510 3.2 30.6 1.0 CE1 B:HIS313 3.2 24.8 1.0 CD2 B:HIS197 3.3 24.1 1.0 ND1 B:HIS248 4.1 27.5 1.0 CG B:HIS510 4.1 30.2 1.0 ND1 B:HIS510 4.2 27.8 1.0 CG B:HIS248 4.2 27.4 1.0 C7 B:PIT602 4.3 45.5 0.9 CG B:HIS313 4.3 23.2 1.0 ND1 B:HIS197 4.3 24.5 1.0 ND1 B:HIS313 4.3 24.3 1.0 C8 B:PIT602 4.4 45.4 0.9 CG B:HIS197 4.4 24.2 1.0 C6 B:PIT602 4.5 39.1 0.9 C5 B:PIT602 4.6 40.8 0.9

Iron binding site 3 out of 4 in the Crystal Structure of T151G 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 T151G CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:34.2 occ:0.68 NE2 C:HIS248 2.1 33.5 1.0 NE2 C:HIS510 2.2 35.1 1.0 O C:HOH1020 2.2 38.8 0.7 NE2 C:HIS197 2.2 28.1 1.0 NE2 C:HIS313 2.2 25.9 1.0 O C:HOH1106 2.4 32.5 0.7 CE1 C:HIS248 2.9 32.8 1.0 CD2 C:HIS510 3.0 34.2 1.0 CD2 C:HIS248 3.1 31.3 1.0 CD2 C:HIS313 3.1 28.0 1.0 CE1 C:HIS197 3.2 29.7 1.0 CE1 C:HIS510 3.2 36.5 1.0 CE1 C:HIS313 3.2 25.9 1.0 CD2 C:HIS197 3.3 28.5 1.0 ND1 C:HIS248 4.1 33.1 1.0 CG C:HIS510 4.1 33.5 1.0 CG C:HIS248 4.2 33.0 1.0 ND1 C:HIS510 4.2 32.9 1.0 C8 C:PIT602 4.2 43.4 0.9 C7 C:PIT602 4.3 42.8 0.9 ND1 C:HIS197 4.3 27.8 1.0 CG C:HIS313 4.3 27.5 1.0 ND1 C:HIS313 4.3 27.4 1.0 CG C:HIS197 4.4 29.3 1.0 C6 C:PIT602 4.6 37.6 0.9 C5 C:PIT602 4.6 38.9 0.9 C9 C:PIT602 5.0 48.5 0.9

Iron binding site 4 out of 4 in the Crystal Structure of T151G 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 T151G CAO1 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:27.7 occ:0.68 O D:HOH1056 2.0 19.4 0.7 NE2 D:HIS248 2.1 27.6 1.0 NE2 D:HIS510 2.1 23.7 1.0 NE2 D:HIS313 2.2 25.0 1.0 NE2 D:HIS197 2.2 23.9 1.0 O D:HOH1143 2.4 29.1 0.7 CE1 D:HIS248 3.0 28.2 1.0 CD2 D:HIS510 3.0 23.6 1.0 CE1 D:HIS197 3.1 24.7 1.0 CD2 D:HIS313 3.1 25.5 1.0 CE1 D:HIS510 3.2 25.8 1.0 CD2 D:HIS248 3.2 28.5 1.0 CE1 D:HIS313 3.2 25.1 1.0 CD2 D:HIS197 3.3 23.4 1.0 ND1 D:HIS248 4.1 27.2 1.0 CG D:HIS510 4.2 25.3 1.0 C7 D:PIT602 4.2 43.6 0.9 ND1 D:HIS510 4.2 25.4 1.0 CG D:HIS248 4.3 28.5 1.0 CG D:HIS313 4.3 25.0 1.0 ND1 D:HIS197 4.3 23.3 1.0 ND1 D:HIS313 4.3 23.7 1.0 C8 D:PIT602 4.3 43.2 0.9 CG D:HIS197 4.4 24.1 1.0 C5 D:PIT602 4.5 37.7 0.9 C6 D:PIT602 4.6 36.5 0.9

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