Iron in PDB 5hlm: Crystal Structure of Avidin Complex with A Ferrocene Biotin Derivative

The structure of Crystal Structure of Avidin Complex with A Ferrocene Biotin Derivative, PDB code: 5hlm 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)	37.46 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.200, 74.910, 76.180, 90.00, 106.17, 90.00
R / Rfree (%)	20.2 / 25.4

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

Iron binding site 1 out of 4 in the Crystal Structure of Avidin Complex with A Ferrocene Biotin 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 Complex with A Ferrocene Biotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:72.3 occ:1.00 FE1 A:B9F201 0.0 72.3 1.0 C23 A:B9F201 2.0 65.5 1.0 C22 A:B9F201 2.0 69.3 1.0 C17 A:B9F201 2.0 69.4 1.0 C16 A:B9F201 2.0 74.3 1.0 C19 A:B9F201 2.1 63.3 1.0 C20 A:B9F201 2.1 68.2 1.0 C18 A:B9F201 2.1 72.8 1.0 C21 A:B9F201 2.1 67.5 1.0 C15 A:B9F201 2.1 70.1 1.0 C14 A:B9F201 2.1 72.4 1.0 C11 A:B9F201 3.1 60.3 1.0 O12 A:B9F201 3.3 69.2 1.0 C10 A:B9F201 3.7 56.9 1.0 NH1 A:ARG114 4.6 53.4 1.0 CD2 A:LEU99 4.9 45.0 1.0 C9 A:B9F201 4.9 56.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Avidin Complex with A Ferrocene Biotin 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 Complex with A Ferrocene Biotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:70.8 occ:1.00 FE1 B:B9F201 0.0 70.8 1.0 C20 B:B9F201 2.0 75.8 1.0 C21 B:B9F201 2.1 72.1 1.0 C22 B:B9F201 2.1 65.5 1.0 C19 B:B9F201 2.1 64.7 1.0 C18 B:B9F201 2.1 70.2 1.0 C16 B:B9F201 2.1 68.5 1.0 C23 B:B9F201 2.1 67.9 1.0 C17 B:B9F201 2.1 64.5 1.0 C15 B:B9F201 2.1 75.6 1.0 C14 B:B9F201 2.1 76.7 1.0 C11 B:B9F201 3.2 59.4 1.0 O12 B:B9F201 3.2 60.5 1.0 C10 B:B9F201 4.4 51.9 1.0 C9 B:B9F201 4.5 57.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Avidin Complex with A Ferrocene Biotin 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 Complex with A Ferrocene Biotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:85.4 occ:1.00 FE1 C:B9F301 0.0 85.4 1.0 C16 C:B9F301 2.1 73.3 1.0 C21 C:B9F301 2.1 76.5 1.0 C17 C:B9F301 2.1 65.3 1.0 C20 C:B9F301 2.1 70.8 1.0 C22 C:B9F301 2.1 73.4 1.0 C23 C:B9F301 2.1 72.6 1.0 C19 C:B9F301 2.1 71.8 1.0 C18 C:B9F301 2.1 68.5 1.0 C15 C:B9F301 2.1 75.8 1.0 C14 C:B9F301 2.1 75.9 1.0 C11 C:B9F301 3.2 60.6 1.0 O12 C:B9F301 3.2 51.7 1.0 C10 C:B9F301 4.2 55.6 1.0 C9 C:B9F301 4.9 50.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Avidin Complex with A Ferrocene Biotin 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 Complex with A Ferrocene Biotin Derivative within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:93.2 occ:1.00 FE1 D:B9F201 0.0 93.2 1.0 C21 D:B9F201 2.0 92.5 1.0 C20 D:B9F201 2.0 92.8 1.0 C22 D:B9F201 2.0 92.0 1.0 C18 D:B9F201 2.0 95.8 1.0 C17 D:B9F201 2.0 79.7 1.0 C23 D:B9F201 2.1 85.9 1.0 C19 D:B9F201 2.1 86.3 1.0 C16 D:B9F201 2.1 90.7 1.0 C14 D:B9F201 2.1 96.8 1.0 C15 D:B9F201 2.1 91.2 1.0 C11 D:B9F201 3.1 65.0 1.0 O12 D:B9F201 3.2 70.3 1.0 C10 D:B9F201 4.4 61.3 1.0 O D:THR38 4.5 60.7 0.5 OG D:SER75 4.7 45.3 1.0 NH1 D:ARG114 4.8 54.1 1.0 OG D:SER101 4.9 54.3 1.0

A.Blauz, B.Rychlik, A.Makal, K.Szulc, P.Strzelczyk, G.Bujacz, J.Zakrzewski, K.Wozniak, D.Plazuk. Ferrocene-Biotin Conjugates: Synthesis, Structure, Cytotoxic Activity and Interaction with Avidin Chempluschem V. 81 1191 2016.
ISSN: ESSN 2192-6506
DOI: 10.1002/CPLU.201600320