Iron in PDB 5myq: Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative

The structure of Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative, PDB code: 5myq was solved by P.Strzelczyk, G.Bujacz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.60 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.933, 82.081, 74.601, 90.00, 106.29, 90.00
R / Rfree (%)	18.6 / 23.2

The structure of Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative also contains other interesting chemical elements:

Iodine

(I)

21 atoms

The binding sites of Iron atom in the Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative (pdb code 5myq). 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 Avidin in Complex with Ferrocene Homobiotin Derivative, PDB code: 5myq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative


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 Avidin in Complex with Ferrocene Homobiotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:27.7 occ:1.00 FE1 A:HBF301 0.0 27.7 1.0 C14 A:HBF301 2.1 27.4 1.0 C23 A:HBF301 2.1 30.6 1.0 C22 A:HBF301 2.1 30.2 1.0 C18 A:HBF301 2.1 27.4 1.0 C16 A:HBF301 2.1 29.1 1.0 C17 A:HBF301 2.1 27.6 1.0 C19 A:HBF301 2.1 30.2 1.0 C15 A:HBF301 2.1 27.0 1.0 C20 A:HBF301 2.1 30.9 1.0 C21 A:HBF301 2.1 29.4 1.0 C11 A:HBF301 3.1 25.0 1.0 C12 A:HBF301 4.2 24.5 1.0 CB A:ALA39 4.3 33.9 1.0 OG A:SER101 4.8 26.3 1.0 O A:HOH411 4.9 26.9 1.0 N A:ALA39 5.0 31.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative


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 Avidin in Complex with Ferrocene Homobiotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.3 occ:1.00 FE1 B:HBF201 0.0 35.3 1.0 C20 B:HBF201 2.1 36.5 1.0 C19 B:HBF201 2.1 36.4 1.0 C17 B:HBF201 2.1 36.8 1.0 C15 B:HBF201 2.1 37.9 1.0 C14 B:HBF201 2.1 35.9 1.0 C21 B:HBF201 2.1 35.4 1.0 C16 B:HBF201 2.1 35.8 1.0 C18 B:HBF201 2.1 36.9 1.0 C23 B:HBF201 2.1 36.8 1.0 C22 B:HBF201 2.1 37.3 1.0 C11 B:HBF201 3.2 34.7 1.0 C12 B:HBF201 4.2 31.8 1.0 CB B:ALA39 4.3 47.9 1.0 OG B:SER101 4.9 26.1 1.0 NH1 B:ARG114 4.9 34.0 1.0 CZ B:ARG114 4.9 33.2 1.0 N B:ALA39 5.0 44.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative


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 Avidin in Complex with Ferrocene Homobiotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:36.6 occ:1.00 FE1 C:HBF201 0.0 36.6 1.0 C20 C:HBF201 2.1 38.2 1.0 C16 C:HBF201 2.1 39.8 1.0 C19 C:HBF201 2.1 36.7 1.0 C17 C:HBF201 2.1 37.2 1.0 C23 C:HBF201 2.1 36.3 1.0 C21 C:HBF201 2.1 38.0 1.0 C14 C:HBF201 2.1 39.4 1.0 C15 C:HBF201 2.1 39.1 1.0 C18 C:HBF201 2.1 38.0 1.0 C22 C:HBF201 2.1 38.1 1.0 C11 C:HBF201 3.1 33.4 1.0 C12 C:HBF201 4.0 32.2 1.0 CB C:ALA39 4.3 63.9 1.0 O C:HOH327 4.8 33.8 1.0 N C:ALA39 4.9 57.4 1.0 CD1 C:LEU99 5.0 25.6 1.0 NH1 C:ARG114 5.0 33.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Avidin in Complex with Ferrocene Homobiotin Derivative


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 Avidin in Complex with Ferrocene Homobiotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:46.1 occ:1.00 FE1 D:HBF201 0.0 46.1 1.0 C19 D:HBF201 2.1 49.8 1.0 C17 D:HBF201 2.1 45.5 1.0 C18 D:HBF201 2.1 45.7 1.0 C23 D:HBF201 2.1 47.5 1.0 C14 D:HBF201 2.1 46.8 1.0 C20 D:HBF201 2.1 47.0 1.0 C15 D:HBF201 2.1 45.9 1.0 C21 D:HBF201 2.1 48.9 1.0 C22 D:HBF201 2.1 46.6 1.0 C16 D:HBF201 2.1 46.4 1.0 C11 D:HBF201 3.1 41.9 1.0 CB D:ALA39 4.1 53.4 1.0 C12 D:HBF201 4.1 35.1 1.0 O D:HOH309 4.6 47.2 1.0 OG D:SER101 4.7 28.4 1.0 NH1 D:ARG114 4.9 36.5 1.0 CD2 D:LEU99 4.9 28.7 1.0 CZ D:ARG114 4.9 35.0 1.0

P.Strzelczyk, D.Plazuk, G.Bujacz. Structural Investigation of the Interactions of Ferrocene Homobiotin Derivative with Avidin. To Be Published.