Iron in PDB 4jhq: Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex

The structure of Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex, PDB code: 4jhq was solved by P.Strzelczyk, A.Bujacz, G.Bujacz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.96 / 1.99
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.693, 78.656, 42.762, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 21

The binding sites of Iron atom in the Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex (pdb code 4jhq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex, PDB code: 4jhq:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex


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 - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:0.8 occ:0.40 FE A:B6F201 0.0 0.8 0.4 C26 A:B6F201 2.0 0.7 0.4 C29 A:B6F201 2.0 99.7 0.4 C25 A:B6F201 2.0 99.0 0.4 C30 A:B6F201 2.0 0.5 0.4 C28 A:B6F201 2.0 98.8 0.4 C31 A:B6F201 2.0 99.6 0.4 C24 A:B6F201 2.0 97.6 0.4 C27 A:B6F201 2.0 99.8 0.4 C32 A:B6F201 2.0 99.5 0.4 C23 A:B6F201 2.0 94.2 0.4 C22 A:B6F201 3.2 82.8 0.4 C21 A:B6F201 3.8 75.3 0.4 O22 A:B6F201 4.1 75.9 0.4 C18 A:B6F201 4.9 54.0 0.4 C20 A:B6F201 5.0 62.5 0.4

Iron binding site 2 out of 3 in the Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex


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 - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:0.5 occ:0.40 FE B:B6F201 0.0 0.5 0.4 C26 B:B6F201 2.0 98.2 0.4 C30 B:B6F201 2.0 97.4 0.4 C29 B:B6F201 2.0 96.7 0.4 C25 B:B6F201 2.0 97.6 0.4 C28 B:B6F201 2.0 0.6 0.4 C27 B:B6F201 2.0 97.3 0.4 C31 B:B6F201 2.0 0.2 0.4 C24 B:B6F201 2.0 95.7 0.4 C32 B:B6F201 2.0 0.8 0.4 C23 B:B6F201 2.0 95.0 0.4 C22 B:B6F201 3.2 85.9 0.4 O22 B:B6F201 3.7 83.4 0.4 O B:ALA36 4.0 81.5 1.0 OG1 B:THR35 4.1 72.0 1.0 C21 B:B6F201 4.2 81.7 0.4 OG B:SER16 4.6 44.8 1.0 O B:LEU14 4.8 47.9 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Avidin - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex


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 - 6-(6-Biotinamidohexanamido) Hexanoylferrocene Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:0.6 occ:0.40 FE B:B6F201 0.0 0.6 0.4 C26 B:B6F201 2.0 98.7 0.4 C29 B:B6F201 2.0 0.9 0.4 C25 B:B6F201 2.0 99.4 0.4 C28 B:B6F201 2.0 99.9 0.4 C30 B:B6F201 2.0 0.5 0.4 C31 B:B6F201 2.0 98.5 0.4 C24 B:B6F201 2.0 98.6 0.4 C27 B:B6F201 2.0 98.3 0.4 C32 B:B6F201 2.0 96.8 0.4 C23 B:B6F201 2.0 96.4 0.4 C22 B:B6F201 3.1 89.8 0.4 O22 B:B6F201 3.4 87.2 0.4 O16 B:B6F201 4.2 67.4 0.4 C21 B:B6F201 4.5 84.6 0.4

D.Plazuk, J.Zakrzewski, M.Salmain, A.Blauz, B.Rychlik, P.Strzelczyk, A.Bujacz, G.Bujacz. Ferrocene-Biotin Conjugates Targeting Cancer Cells: Synthesis, Interaction with Avidin, Cytotoxic Properties and the Crystal Structure of the Complex of Avidin with A Biotin-Linker-Ferrocene Conjugate Organometallics V. 32 5774 2013.
ISSN: ISSN 0276-7333
DOI: 10.1021/OM4003126