Nickel in the structure of Crystal Structure Of An Asn to Ala Mutant of Winged Bean Chymotrypsin Inhibitor Protein (pdb 2et2)

The binding sites of Nickel atom in the structure of Crystal Structure Of An Asn to Ala Mutant of Winged Bean Chymotrypsin Inhibitor Protein (pdb code 2et2). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 2et2 structure was solved by J.K.DATTAGUPTA, U.SEN, J.DASGUPTA, S.KHAMRUI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.1 Space group P6122 a (A) 60.393 b (A) 60.393 c (A) 212.180 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.7 Rfree (%) 27.5 Nickel Binding Sites: Nickel binding site 1 out of 1 in 2et2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 2et2. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Nickel atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His26, A: Ile27, A: Val132, A: Glu172, A: Hoh230, A: Hoh394, conact list: Atom Atom Distance (A) Ni NE2 A:His26 4.38 Ni CB A:His26 3.84 Ni ND1 A:His26 2.36 Ni CD2 A:His26 4.53 Ni CE1 A:His26 3.19 Ni CG A:His26 3.46 Ni CD1 A:Ile27 4.59 Ni CG1 A:Ile27 4.60 Ni CG1 A:Val132 4.72 Ni OE1 A:Glu172 3.36 Ni CB A:Glu172 4.50 Ni OE2 A:Glu172 1.93 Ni CD A:Glu172 2.97 Ni CG A:Glu172 4.28 Ni O A:Hoh230 3.05 Ni O A:Hoh394 3.91 interactive model: