The binding sites of Barium atom in the structure of Structure-Based Functional Annotation: Yeast YMR099C Codes For A D-Hexose-6-Phosphate Mutarotase. Complex With Tagatose-6-Phosphate (pdb code 2cis). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 2cis structure was solved by M.GRAILLE, J.-P.BALTAZE, N.LEULLIOT, D.LIGER, S.QUEVILLON-CHERUEL, H.VAN TILBEURGH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-1.6 | | Space group | C2221 | | a (A) | 43.000 | | b (A) | 156.300 | | c (A) | 104.000 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 18.6 | | Rfree (%) | 21.2 |
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Barium binding site 1 out of 1 in 2cis
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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 2cis. 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: A: Gln81, A: Asp203, A: Ta61290, A: Hoh2001, A: Hoh2136, A: Hoh2274, A: Hoh2277, A: Hoh2282, A: Hoh2283, A: Hoh2373, A: Hoh2375, A: Hoh2376, | conact list:
| Atom | Atom | Distance (A) | | Ba | NE2 A:Gln81 | 4.59 | | Ba | OE1 A:Gln81 | 4.30 | | Ba | CD A:Gln81 | 4.88 | | Ba | OD2 A:Asp203 | 4.20 | | Ba | O3 A:Ta61290 | 2.75 | | Ba | C2 A:Ta61290 | 4.84 | | Ba | O2 A:Ta61290 | 4.48 | | Ba | C4 A:Ta61290 | 3.84 | | Ba | C3 A:Ta61290 | 3.86 | | Ba | O4 A:Ta61290 | 2.97 | | Ba | O A:Hoh2001 | 4.90 | | Ba | O A:Hoh2136 | 2.74 | | Ba | O A:Hoh2274 | 4.61 | | Ba | O A:Hoh2277 | 4.62 | | Ba | O A:Hoh2282 | 2.93 | | Ba | O A:Hoh2283 | 3.13 | | Ba | O A:Hoh2373 | 2.83 | | Ba | O A:Hoh2375 | 4.65 | | Ba | O A:Hoh2376 | 2.90 |
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