Iron in PDB 3fx8: Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate')

The structure of Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate'), PDB code: 3fx8 was solved by D.R.Boer, I.Uson, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.63 / 2.44
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	49.249, 49.249, 49.249, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.2

The binding sites of Iron atom in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate') (pdb code 3fx8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate'), PDB code: 3fx8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate')


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate') within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:88.8 occ:0.33 N12 C:5PM111 1.9 73.6 1.0 N11 C:5PM111 2.0 98.6 1.0 C1F C:5PM111 2.7 78.6 1.0 C1E C:5PM111 2.8 94.0 1.0 C1A C:5PM111 3.0 0.8 1.0 C1G C:5PM111 3.1 73.9 1.0 C1H C:5PM111 3.7 70.7 1.0 C1L C:5PM111 4.0 65.5 1.0 C1D C:5PM111 4.1 0.4 1.0 C1B C:5PM111 4.3 0.4 1.0 C1C C:5PM111 4.8 0.6 1.0

Iron binding site 2 out of 4 in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate')


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate') within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe102 b:95.0 occ:0.33 N14 C:5PM111 2.0 0.3 1.0 N13 C:5PM111 2.0 0.8 1.0 C1T C:5PM111 2.8 0.2 1.0 C1U C:5PM111 2.8 0.3 1.0 C1Y C:5PM111 3.0 0.8 1.0 C1Q C:5PM111 3.1 94.9 1.0 C1P C:5PM111 3.7 76.6 1.0 C1R C:5PM111 4.1 92.2 1.0 C1V C:5PM111 4.2 0.3 1.0 C1X C:5PM111 4.3 0.8 1.0 C1W C:5PM111 4.8 0.1 1.0

Iron binding site 3 out of 4 in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate')


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate') within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:71.0 occ:0.33 N12 C:5PM211 2.0 62.3 1.0 N11 C:5PM211 2.0 58.7 1.0 C1F C:5PM211 2.7 58.5 1.0 C1E C:5PM211 2.8 56.6 1.0 C1A C:5PM211 3.0 63.7 1.0 C1G C:5PM211 3.1 65.4 1.0 C1H C:5PM211 3.8 55.6 1.0 C1L C:5PM211 4.0 57.7 1.0 C1D C:5PM211 4.1 55.2 1.0 C1B C:5PM211 4.3 46.0 1.0 C1C C:5PM211 4.8 48.6 1.0

Iron binding site 4 out of 4 in the Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate')


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Distinct Recognition of Three-Way Dna Junctions By A Thioester Variant of A Metallo-Supramolecular Cylinder ('Helicate') within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:92.0 occ:0.33 N14 C:5PM211 2.0 83.4 1.0 N13 C:5PM211 2.0 70.6 1.0 C1T C:5PM211 2.8 75.5 1.0 C1U C:5PM211 2.8 84.7 1.0 C1Y C:5PM211 3.0 90.0 1.0 C1Q C:5PM211 3.1 72.3 1.0 C1P C:5PM211 3.8 73.6 1.0 C1R C:5PM211 4.0 70.2 1.0 C1V C:5PM211 4.2 97.3 1.0 C1X C:5PM211 4.2 98.7 1.0 C1W C:5PM211 4.7 0.2 1.0

D.R.Boer, J.M.Kerckhoffs, Y.Parajo, M.Pascu, I.Uson, P.Lincoln, M.J.Hannon, M.Coll. Self-Assembly of Functionalizable Two-Component 3D Dna Arrays Through the Induced Formation of Dna Three-Way-Junction Branch Points By Supramolecular Cylinders. Angew.Chem.Int.Ed.Engl. V. 49 2336 2010.
ISSN: ISSN 1433-7851
PubMed: 20191645
DOI: 10.1002/ANIE.200906742