Iodine in PDB 1imr: Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg)

The structure of Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg), PDB code: 1imr was solved by I.Berger, L.Su, J.R.Spitzner, C.Kang, T.G.Burke, A.Rich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	27.960, 27.960, 52.570, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / n/a

The binding sites of Iodine atom in the Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg) (pdb code 1imr). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg), PDB code: 1imr:

Iodine binding site 1 out of 1 in the Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg) within 5.0Å range: probe atom residue distance (Å) B Occ A:I7 b:14.6 occ:1.00 I4' A:DM77 0.0 14.6 1.0 C4' A:DM77 2.2 12.8 1.0 C5' A:DM77 3.1 12.8 1.0 C3' A:DM77 3.2 12.8 1.0 N3' A:DM77 3.3 14.3 1.0 O5' A:DM77 3.5 13.7 1.0 C6' A:DM77 3.5 11.6 1.0 C2' A:DM77 3.6 13.2 1.0 O A:HOH8 3.8 28.4 1.0 O A:HOH23 3.8 17.2 1.0 O A:HOH30 4.1 19.4 1.0 C1' A:DM77 4.1 12.9 1.0 O A:HOH25 4.1 11.1 1.0 O A:HOH16 4.3 40.5 1.0 O A:HOH24 4.4 23.3 1.0 O A:HOH47 4.7 32.2 1.0

I.Berger, L.Su, J.R.Spitzner, C.Kang, T.G.Burke, A.Rich. Molecular Structure of the Halogenated Anti-Cancer Drug Iododoxorubicin Complexed with D(Tgtaca) and D(Cgatcg). Nucleic Acids Res. V. 23 4488 1995.
ISSN: ISSN 0305-1048
PubMed: 7501474
DOI: 10.1093/NAR/23.21.4488