Bromine in the structure of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex With Type 2C Protein Phosphatase ABI1 (pdb 3nmn)

The binding sites of Bromine atom in the structure of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex With Type 2C Protein Phosphatase ABI1 (pdb code 3nmn). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3nmn structure was solved by X.E.ZHOU, K.MELCHER, L.-M.NG, F.-F.SOON, Y.XU, K.M.SUINO-POWELL, A.KOVACH, J.LI, E.-L.YONG, H.E.XU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-2.1 Space group P1 a (A) 59.978 b (A) 66.710 c (A) 72.598 alpha (°) 115.78 beta (°) 95.43 gamma (°) 105.60 Rfactor (%) 21 Rfree (%) 24.8 Bromine Binding Sites: Bromine binding site 1 out of 2 in 3nmn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3nmn. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Leu114, A: Pro115, A: Ala116, A: Phe189, A: Val193, A: Pyv900, conact list: Atom Atom Distance (A) Br CB A:Leu114 4.47 Br CD1 A:Leu114 3.74 Br CG A:Leu114 4.70 Br CD A:Pro115 4.23 Br CG A:Pro115 4.75 Br N A:Ala116 4.95 Br CB A:Ala116 4.65 Br CE2 A:Phe189 3.91 Br CZ A:Phe189 3.51 Br CE1 A:Phe189 4.63 Br CG1 A:Val193 4.38 Br C9 A:Pyv900 4.49 Br C1 A:Pyv900 1.52 Br C2 A:Pyv900 2.67 Br C6 A:Pyv900 2.54 Br C5 A:Pyv900 3.87 Br C4 A:Pyv900 4.54 Br C10 A:Pyv900 3.08 Br BR A:Pyv900 0.00 Br C3 A:Pyv900 4.08 interactive model: Bromine binding site 2 out of 2 in 3nmn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 3nmn. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Leu114, C: Pro115, C: Ala116, C: Phe189, C: Val193, C: Pyv900, conact list: Atom Atom Distance (A) Br CB C:Leu114 4.38 Br CD1 C:Leu114 3.45 Br CG C:Leu114 4.50 Br CD C:Pro115 4.33 Br CG C:Pro115 4.81 Br CB C:Ala116 4.87 Br CE2 C:Phe189 3.81 Br CZ C:Phe189 3.47 Br CE1 C:Phe189 4.60 Br CG2 C:Val193 4.14 Br C9 C:Pyv900 4.44 Br C1 C:Pyv900 1.54 Br C2 C:Pyv900 2.66 Br C6 C:Pyv900 2.55 Br C5 C:Pyv900 3.90 Br C4 C:Pyv900 4.56 Br C10 C:Pyv900 3.04 Br BR C:Pyv900 0.00 Br C3 C:Pyv900 4.07 interactive model: