Bromine in the structure of Crystal Structure of Human JNK3 Complexed With An Isoquinolone Inhibitor (pdb 2zdu)

The binding sites of Bromine atom in the structure of Crystal Structure of Human JNK3 Complexed With An Isoquinolone Inhibitor (pdb code 2zdu). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2zdu structure was solved by S.SOGABE, T.OHRA, F.ITOH, N.HABUKA, A.FUJISHIMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.9-2.5 Space group P212121 a (A) 56.956 b (A) 70.267 c (A) 107.947 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 1 in 2zdu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2zdu. 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: Val78, A: Ala91, A: Lys93, A: Met146, A: Leu206, A: 446901, conact list: Atom Atom Distance (A) Br CG2 A:Val78 4.93 Br CG1 A:Val78 4.68 Br CB A:Ala91 4.64 Br CB A:Lys93 4.45 Br CE A:Lys93 4.29 Br CD A:Lys93 4.54 Br NZ A:Lys93 4.36 Br CB A:Met146 4.08 Br CG A:Met146 3.91 Br SD A:Met146 3.82 Br CD1 A:Leu206 4.61 Br CD2 A:Leu206 4.18 Br CG A:Leu206 4.91 Br C1 A:446901 1.93 Br BR14 A:446901 0.00 Br C2 A:446901 2.94 Br C6 A:446901 2.92 Br C5 A:446901 4.29 Br C4 A:446901 4.81 Br C3 A:446901 4.29 interactive model: