The binding sites of Barium atom in the structure of Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase (pdb code 2wsj). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 2wsj structure was solved by H.RODRIGUEZ, I.ANGULO, B.DE LAS RIVAS, N.CAMPILLO, J.A.PAEZ, R.MUNOZ, J.M.MANCHENO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 23.0-2.2 | | Space group | C121 | | a (A) | 108.811 | | b (A) | 52.756 | | c (A) | 82.095 | | alpha (°) | 90.00 | | beta (°) | 122.44 | | gamma (°) | 90.00 | | Rfactor (%) | 17.768 | | Rfree (%) | 25.898 |
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Barium binding site 1 out of 1 in 2wsj
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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 2wsj. 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: Glu103, A: Ile104, A: Val106, A: Thr107, A: Hoh2018, A: Hoh2046, | conact list:
| Atom | Atom | Distance (A) | | Ba | O A:Glu103 | 2.74 | | Ba | CB A:Glu103 | 4.86 | | Ba | OE2 A:Glu103 | 4.13 | | Ba | C A:Glu103 | 3.86 | | Ba | CA A:Glu103 | 4.81 | | Ba | O A:Ile104 | 4.48 | | Ba | N A:Ile104 | 4.66 | | Ba | C A:Ile104 | 4.68 | | Ba | CA A:Ile104 | 4.64 | | Ba | O A:Val106 | 2.84 | | Ba | N A:Val106 | 4.68 | | Ba | CB A:Val106 | 4.67 | | Ba | C A:Val106 | 3.99 | | Ba | CA A:Val106 | 4.67 | | Ba | CB A:Thr107 | 4.63 | | Ba | O A:Hoh2018 | 4.22 | | Ba | O A:Hoh2046 | 4.36 |
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