The binding sites of Barium atom in 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). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 1ihh structure was solved by B.SPINGLER, D.A.WHITTINGTON, S.J.LIPPARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 100.0-2.4 | | Space group | I222 | | a (A) | 41.942 | | b (A) | 51.246 | | c (A) | 87.049 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 23 | | Rfree (%) | 28.7 |
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Barium binding site 1 out of 1 in 1ihh
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 1ihh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Da10, B: Dg11, B: Dg12, B: Hoh107, | conact list:
| Atom | Atom | Distance (A) | | Ba | N9 B:Da10 | 4.73 | | Ba | C8 B:Da10 | 3.76 | | Ba | C6 B:Da10 | 4.33 | | Ba | C5 B:Da10 | 3.86 | | Ba | N6 B:Da10 | 4.17 | | Ba | N7 B:Da10 | 3.11 | | Ba | C4 B:Da10 | 4.79 | | Ba | OP2 B:Da10 | 4.62 | | Ba | N9 B:Dg11 | 4.78 | | Ba | C8 B:Dg11 | 3.68 | | Ba | C6 B:Dg11 | 3.56 | | Ba | N1 B:Dg11 | 4.95 | | Ba | C5 B:Dg11 | 3.35 | | Ba | N7 B:Dg11 | 2.56 | | Ba | C4 B:Dg11 | 4.63 | | Ba | O6 B:Dg11 | 3.10 | | Ba | N7 B:Dg12 | 4.76 | | Ba | O6 B:Dg12 | 4.91 | | Ba | O B:Hoh107 | 3.04 |
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