Bromine in PDB 1unm: Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna

The structure of Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna, PDB code: 1unm was solved by E.C.Alexopoulos, R.Klement, E.A.Jares-Erijman, I.Uson, T.M.Jovin, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.586, 70.975, 39.453, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 28.1

The binding sites of Bromine atom in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna (pdb code 1unm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna, PDB code: 1unm:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:34.3 occ:0.57 BR A:BRU5 0.0 34.3 0.6 C5 A:BRU5 1.9 30.2 1.0 C6 A:BRU5 2.8 40.1 1.0 C4 A:BRU5 2.8 30.0 1.0 O4 A:BRU5 3.1 31.2 1.0 N1 A:BRU5 4.1 41.0 1.0 N3 A:BRU5 4.1 32.9 1.0 O A:HOH2004 4.4 36.6 1.0 C7 A:DT6 4.5 29.0 1.0 C2 A:BRU5 4.6 34.3 1.0 O4 A:DT6 4.7 33.9 1.0 N7 E:PX16 4.7 26.6 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Br5 b:48.0 occ:0.57 BR B:BRU5 0.0 48.0 0.6 C5 B:BRU5 1.9 41.5 1.0 C4 B:BRU5 2.8 38.0 1.0 C6 B:BRU5 2.9 39.6 1.0 O4 B:BRU5 3.0 35.1 1.0 O B:HOH2002 3.1 54.3 1.0 N3 B:BRU5 4.1 37.1 1.0 N1 B:BRU5 4.1 45.4 1.0 C2 B:BRU5 4.6 42.1 1.0 O3 F:PX16 4.8 42.8 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna within 5.0Å range: probe atom residue distance (Å) B Occ C:Br5 b:25.0 occ:0.57 BR C:BRU5 0.0 25.0 0.6 C5 C:BRU5 1.8 29.2 1.0 C6 C:BRU5 2.8 26.6 1.0 C4 C:BRU5 2.8 26.4 1.0 O4 C:BRU5 3.0 28.5 1.0 O C:HOH2005 3.4 35.2 1.0 C15 E:PX16 3.8 34.4 1.0 O3 E:PX16 4.0 29.5 1.0 N1 C:BRU5 4.1 27.3 1.0 N3 C:BRU5 4.1 26.4 1.0 O C:HOH2004 4.2 30.3 1.0 C2 C:BRU5 4.6 31.6 1.0 C5' C:DT2 4.7 37.7 1.0 OP1 C:DT2 4.7 37.8 1.0 C3 E:PX16 4.8 25.5 1.0 C4 E:PX16 4.8 27.4 1.0 C8 C:DG4 4.8 26.3 1.0 N7 C:DG4 5.0 24.4 1.0 O5' C:DT2 5.0 45.9 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of 7-Aminoactinomycin D with Non-Complementary Dna within 5.0Å range: probe atom residue distance (Å) B Occ D:Br5 b:36.8 occ:0.57 BR D:BRU5 0.0 36.8 0.6 C5 D:BRU5 1.8 35.5 1.0 C6 D:BRU5 2.8 29.1 1.0 C4 D:BRU5 2.8 30.5 1.0 O4 D:BRU5 3.1 42.1 1.0 N1 D:BRU5 4.0 36.5 1.0 N3 D:BRU5 4.1 29.5 1.0 C7 D:DT6 4.6 31.7 1.0 C2 D:BRU5 4.6 32.7 1.0 N7 F:PX16 4.8 29.1 1.0 O4 D:DT6 4.9 27.8 1.0

E.C.Alexopoulos, E.A.Jares-Erijman, T.M.Jovin, R.Klement, R.Machinek, G.M.Sheldrick, I.Uson. Crystal and Solution Structures of 7-Amino-Actinomycin D Complexes with D(Ttagbrut), D(Ttagtt) and D(Tttagttt) Acta Crystallogr.,Sect.D V. 61 407 2005.
ISSN: ISSN 0907-4449
PubMed: 15805595
DOI: 10.1107/S090744490500082X