Magnesium in PDB 1d38: Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg)

The structure of Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg), PDB code: 1d38 was solved by Y.-G.Gao, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	28.130, 28.130, 53.680, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg) (pdb code 1d38). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg), PDB code: 1d38:

Magnesium binding site 1 out of 1 in the Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg8 b:36.6 occ:1.00 N7 A:DG6 2.6 19.0 1.0 O A:HOH9 2.8 39.0 1.0 O A:HOH11 2.8 45.0 1.0 O6 A:DM57 3.3 21.6 1.0 C8 A:DG6 3.5 18.9 1.0 C5 A:DG6 3.7 18.3 1.0 O6 A:DG6 3.8 17.6 1.0 C4 A:DM57 4.0 20.5 1.0 C6 A:DM57 4.1 20.6 1.0 C6 A:DG6 4.2 18.1 1.0 OP2 A:DG6 4.4 23.2 1.0 C5 A:DM57 4.5 20.7 1.0 C2' A:DC5 4.6 21.6 1.0 N9 A:DG6 4.8 18.8 1.0 O3' A:DC5 4.8 22.3 1.0 O8 A:DM57 4.9 20.7 1.0 C4 A:DG6 4.9 18.5 1.0 O A:HOH62 5.0 63.7 1.0

Y.G.Gao, A.H.Wang. Influence of Aglycone Modifications on the Binding of Anthracycline Drugs to Dna: the Molecular Structure of Idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin Complexed to D(Cgatcg). Anti-Cancer Drug Des. V. 6 137 1991.
ISSN: ISSN 0266-9536
PubMed: 1872945