Iron in PDB 2et0: The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs

The structure of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs, PDB code: 2et0 was solved by A.Oleksi, A.G.Blanco, R.Boer, I.Uson, J.Aymami, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.50 / 1.70
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	71.200, 71.200, 71.200, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 29.1

The binding sites of Iron atom in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs (pdb code 2et0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs, PDB code: 2et0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe4 b:16.1 occ:0.50 N11 A:NPM3 1.9 24.1 0.5 N12 A:NPM1 2.0 18.0 0.5 N12 A:NPM3 2.0 18.5 0.5 N11 A:NPM2 2.0 18.6 0.5 N11 A:NPM1 2.0 18.3 0.5 N12 A:NPM2 2.0 14.6 0.5 C1F A:NPM3 2.7 19.6 0.5 C1E A:NPM3 2.8 22.0 0.5 C1F A:NPM1 2.8 20.5 0.5 C1F A:NPM2 2.8 16.0 0.5 C1E A:NPM2 2.8 18.1 0.5 C1E A:NPM1 2.8 19.3 0.5 C1A A:NPM3 3.0 24.4 0.5 C1A A:NPM2 3.0 18.5 0.5 C1A A:NPM1 3.0 20.0 0.5 C1G A:NPM3 3.1 17.1 0.5 C1G A:NPM1 3.1 15.8 0.5 C1G A:NPM2 3.1 13.9 0.5 C1H A:NPM1 3.7 14.8 0.5 C1H A:NPM2 3.7 13.9 0.5 C1H A:NPM3 3.8 18.9 0.5 C1L A:NPM3 3.9 12.0 0.5 C1L A:NPM1 4.0 17.4 0.5 C1L A:NPM2 4.1 12.1 0.5 C1D A:NPM3 4.1 20.8 0.5 C1D A:NPM2 4.2 18.2 0.5 C1D A:NPM1 4.2 19.5 0.5 C1B A:NPM3 4.2 23.4 0.5 C1B A:NPM2 4.3 17.7 0.5 C1B A:NPM1 4.3 18.8 0.5 O A:HOH145 4.4 39.5 1.0 C1C A:NPM3 4.7 24.3 0.5 C1C A:NPM2 4.8 18.5 0.5 C1C A:NPM1 4.8 17.1 0.5 C1I A:NPM1 5.0 17.8 0.5 C1I A:NPM2 5.0 12.0 0.5

Iron binding site 2 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5 b:16.8 occ:0.50 N14 A:NPM3 2.0 17.1 0.5 N13 A:NPM2 2.0 13.1 0.5 N13 A:NPM3 2.0 12.3 0.5 N14 A:NPM1 2.0 17.8 0.5 N13 A:NPM1 2.0 15.6 0.5 N14 A:NPM2 2.0 16.4 0.5 C1T A:NPM3 2.8 13.9 0.5 C1T A:NPM2 2.8 14.6 0.5 C1T A:NPM1 2.8 16.7 0.5 C1U A:NPM3 2.8 16.5 0.5 C1U A:NPM1 2.8 20.1 0.5 C1U A:NPM2 2.9 16.3 0.5 C1Y A:NPM1 3.0 19.3 0.5 C1Y A:NPM3 3.0 18.4 0.5 C1Y A:NPM2 3.0 17.4 0.5 C1Q A:NPM2 3.1 12.5 0.5 C1Q A:NPM3 3.1 13.7 0.5 C1Q A:NPM1 3.1 14.5 0.5 C1P A:NPM1 3.7 16.4 0.5 C1R A:NPM3 3.7 15.8 0.5 C1R A:NPM2 3.7 14.9 0.5 C1R A:NPM1 4.0 14.2 0.5 C1P A:NPM3 4.0 12.0 0.5 C1P A:NPM2 4.1 13.5 0.5 C1V A:NPM3 4.1 17.8 0.5 C1V A:NPM1 4.2 22.8 0.5 C1V A:NPM2 4.2 19.0 0.5 C1X A:NPM3 4.2 18.8 0.5 C1X A:NPM1 4.2 22.4 0.5 C1X A:NPM2 4.3 16.3 0.5 C1W A:NPM3 4.7 19.0 0.5 C1W A:NPM1 4.8 24.0 0.5 C1W A:NPM2 4.8 18.8 0.5 C1O A:NPM1 4.9 17.3 0.5 C1S A:NPM3 5.0 12.8 0.5 C1S A:NPM2 5.0 12.9 0.5

Iron binding site 3 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6 b:20.5 occ:0.33 N12 A:NPM10 2.0 23.8 1.0 N11 A:NPM10 2.0 28.4 1.0 C1F A:NPM10 2.8 25.7 1.0 C1E A:NPM10 2.8 27.8 1.0 C1A A:NPM10 3.0 28.6 1.0 C1G A:NPM10 3.1 20.7 1.0 C1H A:NPM10 3.6 19.0 1.0 C1L A:NPM10 4.0 15.9 1.0 C1D A:NPM10 4.2 29.6 1.0 C1B A:NPM10 4.3 30.2 1.0 C1C A:NPM10 4.8 32.0 1.0 C1I A:NPM10 4.9 16.8 1.0

Iron binding site 4 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe7 b:15.6 occ:0.33 N14 A:NPM10 2.0 15.8 1.0 N13 A:NPM10 2.0 14.3 1.0 C1T A:NPM10 2.8 14.5 1.0 C1U A:NPM10 2.8 14.0 1.0 C1Y A:NPM10 3.0 17.7 1.0 C1Q A:NPM10 3.1 15.9 1.0 C1P A:NPM10 3.7 17.1 1.0 C1R A:NPM10 4.0 15.9 1.0 C1V A:NPM10 4.2 16.6 1.0 C1X A:NPM10 4.3 19.3 1.0 C1W A:NPM10 4.8 20.3 1.0

Iron binding site 5 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe8 b:21.1 occ:0.17 N12 B:NPM30 2.0 22.4 0.5 N11 B:NPM30 2.0 28.6 0.5 C1F B:NPM30 2.8 25.1 0.5 C1E B:NPM30 2.8 27.8 0.5 C1A B:NPM30 3.0 29.6 0.5 C1G B:NPM30 3.1 19.9 0.5 C1H B:NPM30 3.6 18.6 0.5 C1L B:NPM30 4.1 16.4 0.5 C1D B:NPM30 4.2 30.4 0.5 C1B B:NPM30 4.3 30.6 0.5 C1C B:NPM30 4.8 31.2 0.5 C1I B:NPM30 4.9 16.9 0.5

Iron binding site 6 out of 6 in the The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structure of A Three-Way Dna Junction in Complex with A Metallo- Supramolecular Helicate Reveals A New Target For Drugs within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe9 b:12.6 occ:0.17 N14 B:NPM30 2.0 16.0 0.5 N13 B:NPM30 2.0 13.1 0.5 C1T B:NPM30 2.8 14.1 0.5 C1U B:NPM30 2.8 14.6 0.5 C1Y B:NPM30 3.0 16.4 0.5 C1Q B:NPM30 3.1 16.1 0.5 C1P B:NPM30 3.7 18.0 0.5 C1R B:NPM30 4.0 15.3 0.5 C1V B:NPM30 4.2 17.3 0.5 C1X B:NPM30 4.3 19.1 0.5 C1W B:NPM30 4.8 19.2 0.5 C1O B:NPM30 5.0 17.6 0.5

A.Oleksi, A.G.Blanco, R.Boer, I.Uson, J.Aymami, A.Rodger, M.J.Hannon, M.Coll. Molecular Recognition of A Three-Way Dna Junction By A Metallosupramolecular Helicate Angew.Chem.Int.Ed.Engl. V. 45 1227 2006.
ISSN: ISSN 1433-7851
PubMed: 16463312
DOI: 10.1002/ANIE.200503822