Barium in PDB 1ihh: 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex

The structure of 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex, PDB code: 1ihh was solved by B.Spingler, D.A.Whittington, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	41.942, 51.246, 87.049, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.7

The structure of 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex also contains other interesting chemical elements:

Platinum

(Pt)

1 atom

The binding sites of Barium atom in the 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex (pdb code 1ihh). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex, PDB code: 1ihh:

Barium binding site 1 out of 1 in the 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of 2.4 Angstrom Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba42 b:56.1 occ:1.00 N7 B:DG11 2.6 34.8 1.0 O B:HOH107 3.0 58.8 1.0 O6 B:DG11 3.1 42.5 1.0 N7 B:DA10 3.1 47.5 1.0 C5 B:DG11 3.3 27.2 1.0 C6 B:DG11 3.6 31.0 1.0 C8 B:DG11 3.7 29.7 1.0 C8 B:DA10 3.8 43.9 1.0 C5 B:DA10 3.9 45.6 1.0 N6 B:DA10 4.2 30.3 1.0 C6 B:DA10 4.3 42.0 1.0 OP2 B:DA10 4.6 60.3 1.0 C4 B:DG11 4.6 39.7 1.0 N9 B:DA10 4.7 49.8 1.0 N7 B:DG12 4.8 34.1 1.0 N9 B:DG11 4.8 35.0 1.0 C4 B:DA10 4.8 47.3 1.0 O6 B:DG12 4.9 47.6 1.0 N1 B:DG11 4.9 43.3 1.0

B.Spingler, D.A.Whittington, S.J.Lippard. 2.4 A Crystal Structure of An Oxaliplatin 1,2-D(Gpg) Intrastrand Cross-Link in A Dna Dodecamer Duplex. Inorg.Chem. V. 40 5596 2001.
ISSN: ISSN 0020-1669
PubMed: 11599959
DOI: 10.1021/IC010790T