The binding sites of Barium atom in the structure of Crystal Structure of A Possible Transglutaminase-Family Protein Proteolytic Fragment From Bacteroides Fragilis (pdb code 3e8v). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 3e8v structure was solved by J.B.BONANNO, M.RUTTER, K.T.BAIN, S.HU, R.ROMERO, D.SMITH, S.WASSERMAN, J.M.SAUDER, S.K.BURLEY, S.C.ALMO, NEW YORK SGXRESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 15.0-2.4 | | Space group | P3121 | | a (A) | 82.006 | | b (A) | 82.006 | | c (A) | 32.367 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 120.00 | | Rfactor (%) | 22.5 | | Rfree (%) | 24.3 |
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Barium binding site 1 out of 1 in 3e8v
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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 3e8v. 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: Leu294, A: His331, A: Glu363, | conact list:
| Atom | Atom | Distance (A) | | Ba | CB A:Leu294 | 4.82 | | Ba | CD2 A:Leu294 | 4.77 | | Ba | NE2 A:His331 | 2.37 | | Ba | ND1 A:His331 | 4.38 | | Ba | CD2 A:His331 | 3.38 | | Ba | CE1 A:His331 | 3.25 | | Ba | CG A:His331 | 4.47 | | Ba | OE1 A:Glu363 | 2.72 | | Ba | OE2 A:Glu363 | 2.43 | | Ba | CD A:Glu363 | 2.91 | | Ba | CG A:Glu363 | 4.39 |
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