The binding sites of Barium atom in the structure of Potassium Channel Kcsa-Fab Complex in Barium Chloride (pdb code 2itd). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 2itd structure was solved by S.W.LOCKLESS, M.ZHOU, R.MACKINNON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 42.8-2.7 | | Space group | I4 | | a (A) | 156.075 | | b (A) | 156.075 | | c (A) | 75.424 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 24.1 | | Rfree (%) | 26.1 |
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Barium binding site 1 out of 2 in 2itd
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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 2itd. 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: C: Thr75, C: Val76, | conact list:
| Atom | Atom | Distance (A) | | Ba | O C:Thr75 | 2.84 | | Ba | CB C:Thr75 | 3.79 | | Ba | OG1 C:Thr75 | 3.23 | | Ba | C C:Thr75 | 3.74 | | Ba | CA C:Thr75 | 4.45 | | Ba | O C:Val76 | 4.79 | | Ba | N C:Val76 | 4.60 | | Ba | C C:Val76 | 4.95 | | Ba | CA C:Val76 | 4.74 |
| interactive model:
| Barium binding site 2 out of 2 in 2itd
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 2itd. 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: C: Val76, C: Gly77, C: Tyr78, C: Hoh127, | conact list:
| Atom | Atom | Distance (A) | | Ba | O C:Val76 | 3.85 | | Ba | C C:Val76 | 4.76 | | Ba | O C:Gly77 | 3.00 | | Ba | N C:Gly77 | 4.93 | | Ba | C C:Gly77 | 3.60 | | Ba | CA C:Gly77 | 4.10 | | Ba | O C:Tyr78 | 4.97 | | Ba | N C:Tyr78 | 4.43 | | Ba | C C:Tyr78 | 4.80 | | Ba | CA C:Tyr78 | 4.69 | | Ba | O C:Hoh127 | 3.93 |
| interactive model:
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