Iron in PDB 7t8q: Crystal Structure of T151G CAO1

The structure of Crystal Structure of T151G CAO1, PDB code: 7t8q was solved by A.Daruwalla, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.09 / 2.15
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.632, 100.632, 447.661, 90, 90, 120
R / Rfree (%)	19 / 21.1

The structure of Crystal Structure of T151G CAO1 also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

The binding sites of Iron atom in the Crystal Structure of T151G CAO1 (pdb code 7t8q). 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, PDB code: 7t8q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of T151G CAO1


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.6 occ:0.67 NE2 A:HIS248 2.2 42.5 1.0 NE2 A:HIS510 2.2 45.8 1.0 NE2 A:HIS313 2.2 44.5 1.0 NE2 A:HIS197 2.2 43.1 1.0 O A:HOH960 2.7 63.6 1.0 O A:HOH958 2.7 58.0 1.0 CD2 A:HIS510 2.9 45.0 1.0 CD2 A:HIS313 3.0 42.6 1.0 CE1 A:HIS197 3.1 43.9 1.0 CE1 A:HIS248 3.1 44.1 1.0 CD2 A:HIS248 3.2 42.5 1.0 CE1 A:HIS313 3.2 43.1 1.0 CE1 A:HIS510 3.2 46.0 1.0 CD2 A:HIS197 3.2 42.2 1.0 CG A:HIS510 4.1 44.9 1.0 ND1 A:HIS510 4.2 45.0 1.0 ND1 A:HIS248 4.2 44.7 1.0 CG A:HIS313 4.2 43.0 1.0 ND1 A:HIS197 4.2 42.6 1.0 ND1 A:HIS313 4.3 44.3 1.0 CG A:HIS248 4.3 44.1 1.0 CG A:HIS197 4.3 42.4 1.0 O A:GLY151 5.0 46.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of T151G CAO1


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:43.5 occ:0.71 NE2 B:HIS510 2.1 43.8 1.0 NE2 B:HIS248 2.2 43.1 1.0 NE2 B:HIS313 2.2 38.7 1.0 NE2 B:HIS197 2.2 37.3 1.0 O B:HOH965 2.6 54.1 1.0 CD2 B:HIS510 2.9 43.4 1.0 O B:HOH937 3.0 55.3 1.0 CD2 B:HIS313 3.0 38.0 1.0 CE1 B:HIS197 3.1 36.8 1.0 CE1 B:HIS248 3.1 44.0 1.0 CD2 B:HIS248 3.2 42.4 1.0 CE1 B:HIS510 3.2 44.8 1.0 CE1 B:HIS313 3.2 38.9 1.0 CD2 B:HIS197 3.2 36.5 1.0 CG B:HIS510 4.1 44.6 1.0 ND1 B:HIS510 4.2 44.6 1.0 CG B:HIS313 4.2 38.2 1.0 ND1 B:HIS248 4.2 43.3 1.0 ND1 B:HIS197 4.2 35.7 1.0 ND1 B:HIS313 4.3 38.5 1.0 CG B:HIS248 4.3 42.0 1.0 CG B:HIS197 4.3 36.2 1.0 O B:GLY151 5.0 40.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of T151G CAO1


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:42.8 occ:0.65 NE2 C:HIS248 2.1 42.1 1.0 NE2 C:HIS510 2.1 41.7 1.0 NE2 C:HIS197 2.1 42.2 1.0 NE2 C:HIS313 2.2 43.8 1.0 O C:HOH966 2.5 55.8 1.0 O C:HOH984 2.8 49.6 1.0 CD2 C:HIS510 2.9 42.4 1.0 CE1 C:HIS197 3.0 41.8 1.0 CD2 C:HIS313 3.1 42.0 1.0 CE1 C:HIS248 3.1 42.6 1.0 CD2 C:HIS248 3.2 41.1 1.0 CE1 C:HIS510 3.2 41.6 1.0 CD2 C:HIS197 3.2 41.1 1.0 CE1 C:HIS313 3.3 44.4 1.0 CG C:HIS510 4.1 41.9 1.0 ND1 C:HIS510 4.2 41.3 1.0 ND1 C:HIS248 4.2 42.2 1.0 ND1 C:HIS197 4.2 41.8 1.0 CG C:HIS313 4.2 42.5 1.0 CG C:HIS248 4.3 41.1 1.0 ND1 C:HIS313 4.3 43.3 1.0 CG C:HIS197 4.3 41.8 1.0 O C:GLY151 5.0 44.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of T151G CAO1


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 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:38.5 occ:0.66 NE2 D:HIS510 2.2 40.8 1.0 NE2 D:HIS248 2.2 40.3 1.0 NE2 D:HIS313 2.2 39.6 1.0 NE2 D:HIS197 2.2 37.8 1.0 O D:HOH985 2.3 46.9 1.0 O D:HOH995 2.7 49.6 1.0 CD2 D:HIS510 3.0 39.9 1.0 CD2 D:HIS313 3.1 38.1 1.0 CE1 D:HIS248 3.1 40.1 1.0 CE1 D:HIS197 3.1 37.2 1.0 CD2 D:HIS248 3.2 39.4 1.0 CE1 D:HIS313 3.2 39.5 1.0 CE1 D:HIS510 3.2 41.0 1.0 CD2 D:HIS197 3.3 36.2 1.0 CG D:HIS510 4.1 40.7 1.0 ND1 D:HIS510 4.2 40.4 1.0 ND1 D:HIS248 4.2 39.4 1.0 CG D:HIS313 4.2 38.4 1.0 ND1 D:HIS197 4.2 36.1 1.0 ND1 D:HIS313 4.3 38.9 1.0 CG D:HIS248 4.3 39.5 1.0 CG D:HIS197 4.3 36.1 1.0 O D:GLY151 5.0 43.0 1.0

A.Daruwalla, P.D.Kiser. Crystal Structure of T151G CAO1 To Be Published.