Barium in the structure of Crystal Structure of PBP1A From Drug-Resistant Strain 5204 From Streptococcus Pneumoniae (pdb 2v2f)

The binding sites of Barium atom in the structure of Crystal Structure of PBP1A From Drug-Resistant Strain 5204 From Streptococcus Pneumoniae (pdb code 2v2f). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 2v2f structure was solved by V.JOB, R.CARAPITO, T.VERNET, O.DIDEBERG, A.DESSEN, A.ZAPUN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.7-1.9 Space group C121 a (A) 122.960 b (A) 67.030 c (A) 49.130 alpha (°) 90.00 beta (°) 100.89 gamma (°) 90.00 Rfactor (%) 21 Rfree (%) 24.6 Barium Binding Sites: Barium binding site 1 out of 1 in 2v2f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 2v2f. 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: F: Thr364, F: Asn365, F: Asn468, F: Ser472, F: Asn473, F: Lys474, F: Tyr476, F: Gly477, F: Hoh2059, F: Hoh2117, F: Hoh2118, F: Hoh2119, F: Hoh2123, conact list: Atom Atom Distance (A) Ba O F:Thr364 2.77 Ba CB F:Thr364 3.58 Ba CG2 F:Thr364 4.88 Ba OG1 F:Thr364 2.86 Ba C F:Thr364 3.64 Ba CA F:Thr364 4.28 Ba N F:Asn365 4.56 Ba CA F:Asn365 4.78 Ba OD1 F:Asn468 4.36 Ba O F:Ser472 2.98 Ba N F:Ser472 4.37 Ba CB F:Ser472 3.98 Ba OG F:Ser472 2.83 Ba C F:Ser472 3.58 Ba CA F:Ser472 4.20 Ba O F:Asn473 2.83 Ba N F:Asn473 4.32 Ba C F:Asn473 3.72 Ba CA F:Asn473 4.58 Ba O F:Lys474 4.63 Ba N F:Lys474 4.45 Ba C F:Lys474 4.70 Ba CA F:Lys474 4.46 Ba O F:Tyr476 2.73 Ba N F:Tyr476 4.63 Ba CB F:Tyr476 4.75 Ba C F:Tyr476 3.82 Ba CA F:Tyr476 4.63 Ba N F:Gly477 4.73 Ba CA F:Gly477 4.77 Ba O F:Hoh2059 2.85 Ba O F:Hoh2117 4.84 Ba O F:Hoh2118 2.98 Ba O F:Hoh2119 2.89 Ba O F:Hoh2123 4.68 interactive model: