Iron in PDB 4jiy: Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug

The structure of Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug, PDB code: 4jiy was solved by R.K.O.Sigel, J.A.Schnabl, E.Freisinger, B.Spingler, M.J.Hannon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.41 / 1.91
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	45.745, 45.745, 45.745, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.2

The binding sites of Iron atom in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug (pdb code 4jiy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug, PDB code: 4jiy:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:38.2 occ:0.33 N12 A:NPM101 2.0 37.0 1.0 N11 A:NPM101 2.0 41.4 1.0 C1F A:NPM101 2.8 35.5 1.0 C1E A:NPM101 2.9 39.6 1.0 C1A A:NPM101 3.0 40.5 1.0 C1G A:NPM101 3.1 38.9 1.0 C1H A:NPM101 3.8 41.0 1.0 C1L A:NPM101 4.0 39.5 1.0 C1D A:NPM101 4.2 46.1 1.0 C1B A:NPM101 4.3 49.9 1.0 C1C A:NPM101 4.8 46.6 1.0 O A:HOH207 5.0 54.1 0.3

Iron binding site 2 out of 4 in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe103 b:52.3 occ:0.33 N14 A:NPM101 2.0 60.7 1.0 N13 A:NPM101 2.0 51.0 1.0 C1T A:NPM101 2.7 48.0 1.0 C1U A:NPM101 2.8 55.8 1.0 C1Y A:NPM101 3.0 65.5 1.0 C1Q A:NPM101 3.2 42.0 1.0 C1P A:NPM101 3.8 41.6 1.0 C1R A:NPM101 4.2 39.5 1.0 C1V A:NPM101 4.2 63.5 1.0 C1X A:NPM101 4.2 68.3 1.0 C1W A:NPM101 4.7 69.3 1.0

Iron binding site 3 out of 4 in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe105 b:40.7 occ:0.33 N11 A:NPM104 2.0 42.0 1.0 N12 A:NPM104 2.0 38.9 1.0 C1F A:NPM104 2.8 36.5 1.0 C1E A:NPM104 2.9 43.6 1.0 C1A A:NPM104 3.0 43.7 1.0 C1G A:NPM104 3.1 38.0 1.0 C1H A:NPM104 3.8 36.1 1.0 C1L A:NPM104 4.0 35.1 1.0 C1D A:NPM104 4.2 51.0 1.0 C1B A:NPM104 4.3 50.4 1.0 C1C A:NPM104 4.7 51.2 1.0

Iron binding site 4 out of 4 in the Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Rna Three-Way Junction Stabilized By A Supramolecular Di-Iron(II) Cylinder Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe106 b:47.2 occ:0.33 N14 A:NPM104 2.0 57.9 1.0 N13 A:NPM104 2.0 45.8 1.0 C1T A:NPM104 2.8 47.7 1.0 C1U A:NPM104 2.8 59.9 1.0 C1Y A:NPM104 3.0 65.0 1.0 C1Q A:NPM104 3.1 44.4 1.0 C1P A:NPM104 3.8 40.4 1.0 C1R A:NPM104 4.1 47.2 1.0 C1V A:NPM104 4.2 55.1 1.0 C1X A:NPM104 4.2 67.7 1.0 C1W A:NPM104 4.7 63.3 1.0

S.Phongtongpasuk, S.Paulus, J.Schnabl, R.K.Sigel, B.Spingler, M.J.Hannon, E.Freisinger. Binding of A Designed Anti-Cancer Drug to the Central Cavity of An Rna Three-Way Junction. Angew.Chem.Int.Ed.Engl. V. 52 11513 2013.
ISSN: ISSN 1433-7851
PubMed: 24039102
DOI: 10.1002/ANIE.201305079