Barium in PDB 4e2r: Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex

The structure of Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex, PDB code: 4e2r was solved by P.K.Mandal, S.Venkadesh, N.Gautham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.11 / 1.67
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	17.544, 30.512, 44.210, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.7

The binding sites of Barium atom in the Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex (pdb code 4e2r). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex, PDB code: 4e2r:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:23.3 occ:0.85 BA A:BA101 0.0 23.3 0.8 BA A:BA101 1.4 11.0 0.1 O A:HOH214 2.4 32.9 1.0 OP1 A:DC3 2.7 16.9 1.0 O6 A:DG4 2.8 19.1 1.0 N7 A:DG4 3.0 17.9 1.0 O B:HOH112 3.3 24.2 1.0 C6 A:DG4 3.5 18.3 1.0 C5 A:DG4 3.6 17.9 1.0 P A:DC3 4.1 18.2 1.0 C8 A:DG4 4.2 17.6 1.0 OP2 A:DC3 4.5 18.6 1.0 N4 B:DC9 4.7 19.7 1.0 C6 A:DC3 4.8 10.3 1.0 N1 A:DG4 4.8 19.4 1.0 C4 A:DG4 4.9 18.5 1.0 C5 A:DC3 4.9 11.3 1.0 O6 B:DG8 5.0 18.8 1.0 C2' A:DA2 5.0 15.0 1.0

Barium binding site 2 out of 2 in the Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:11.0 occ:0.15 BA A:BA101 0.0 11.0 0.1 BA A:BA101 1.4 23.3 0.8 O A:HOH214 2.1 32.9 1.0 N7 A:DG4 3.7 17.9 1.0 OP1 A:DC3 3.8 16.9 1.0 O6 A:DG4 4.0 19.1 1.0 O B:HOH112 4.1 24.2 1.0 C5 A:DG4 4.6 17.9 1.0 C6 A:DG4 4.7 18.3 1.0 C8 A:DG4 4.8 17.6 1.0 P A:DC3 4.9 18.2 1.0 OP2 A:DC3 5.0 18.6 1.0

P.K.Mandal, S.Venkadesh, N.Gautham. Interactions of BA2+ with A Non-Self-Complementary Z-Type Dna Duplex To Be Published.