Bromine in PDB 381d: Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes

The structure of Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes, PDB code: 381d was solved by R.Dutta, Y.-G.Gao, W.Priebe, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.10
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	37.200, 37.200, 70.530, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 31.8

The binding sites of Bromine atom in the Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes (pdb code 381d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes, PDB code: 381d:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Br14 b:63.4 occ:1.00 BR A:DM814 0.0 63.4 1.0 C2' A:DM814 1.8 59.4 1.0 C1' A:DM814 2.6 51.6 1.0 C3' A:DM814 2.7 62.5 1.0 O5' A:DM814 2.8 50.9 1.0 C4' A:DM814 3.1 57.9 1.0 N3' A:DM814 3.4 66.8 1.0 C5' A:DM814 3.4 52.1 1.0 O3' B:DC11 3.5 54.8 1.0 C5' B:DG12 3.7 48.5 1.0 O7 A:DM814 3.9 39.9 1.0 O6 A:DM814 4.0 22.5 1.0 O4' B:DG12 4.3 35.0 1.0 C4' B:DC11 4.3 47.4 1.0 OP1 B:DG12 4.3 56.4 1.0 C4' B:DG12 4.3 41.9 1.0 O4' B:DC11 4.4 40.6 1.0 P B:DG12 4.4 61.0 1.0 C1' B:DC11 4.5 31.5 1.0 C3' B:DC11 4.5 46.2 1.0 C6' A:DM814 4.5 50.2 1.0 O5' B:DG12 4.6 53.5 1.0 O4' A:DM814 4.6 54.5 1.0 O2 B:DC11 4.8 26.0 1.0 C7 A:DM814 4.9 28.0 1.0

Bromine binding site 2 out of 2 in the Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:Br13 b:32.6 occ:1.00 BR B:DM813 0.0 32.6 1.0 C2' B:DM813 1.7 24.2 1.0 C1' B:DM813 2.6 27.7 1.0 C3' B:DM813 2.7 27.6 1.0 O5' B:DM813 3.1 27.2 1.0 C4' B:DM813 3.1 29.7 1.0 N3' B:DM813 3.2 24.5 1.0 C5' B:DM813 3.8 27.0 1.0 O7 B:DM813 3.9 29.1 1.0 O3' A:DC5 4.1 24.9 1.0 C5' A:DG6 4.2 19.6 1.0 O4' B:DM813 4.2 37.3 1.0 O4' A:DC5 4.3 27.0 1.0 C4' A:DC5 4.3 14.8 1.0 C1' A:DC5 4.4 21.1 1.0 O6 B:DM813 4.5 18.1 1.0 CM2 B:G499 4.6 21.8 1.0 O2 A:DC5 4.6 24.4 1.0 C6' B:DM813 4.7 13.9 1.0 O4' A:DG6 4.8 29.9 1.0 C3' A:DC5 4.8 20.1 1.0 C4' A:DG6 4.8 19.3 1.0 O5' A:DG6 5.0 24.1 1.0

R.Dutta, Y.G.Gao, W.Priebe, A.H.Wang. Binding of the Modified Daunorubicin WP401 Adjacent to A T-G Base Pair Induces the Reverse Watson-Crick Conformation: Crystal Structures of the WP401-Tggccg and WP401-Cgg[BR5C]Cg Complexes. Nucleic Acids Res. V. 26 3001 1998.
ISSN: ISSN 0305-1048
PubMed: 9611247
DOI: 10.1093/NAR/26.12.3001