Nickel in the structure of Crystal Structure Of the TPR1 Domain of Hop in Complex With A HSC70 Peptide (pdb 1elw)

The binding sites of Nickel atom in the structure of Crystal Structure Of the TPR1 Domain of Hop in Complex With A HSC70 Peptide (pdb code 1elw). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1elw structure was solved by C.SCHEUFLER, A.BRINKER, F.U.HARTL, I.MOAREFI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.9-1.6 Space group P41 a (A) 75.470 b (A) 75.470 c (A) 42.890 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 21.5 Nickel Binding Sites: Nickel binding site 1 out of 4 in 1elw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1elw. 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: Pro69, A: Tyr75, A: Glu97, A: His101, A: Trs301, A: Trs302, A: Hoh423, conact list: Atom Atom Distance (A) Ni CB A:Pro69 4.89 Ni OH A:Tyr75 4.17 Ni OE2 A:Glu97 3.91 Ni CD A:Glu97 4.73 Ni CG A:Glu97 4.71 Ni NE2 A:His101 1.95 Ni ND1 A:His101 4.03 Ni CD2 A:His101 3.00 Ni CE1 A:His101 2.89 Ni CG A:His101 4.11 Ni O2 A:Trs301 4.11 Ni N A:Trs301 2.34 Ni C1 A:Trs301 4.43 Ni C3 A:Trs301 3.09 Ni C A:Trs301 3.08 Ni O3 A:Trs301 2.31 Ni C2 A:Trs301 3.69 Ni O2 A:Trs302 2.41 Ni N A:Trs302 2.52 Ni C1 A:Trs302 4.51 Ni O1 A:Trs302 4.85 Ni C3 A:Trs302 3.26 Ni C A:Trs302 3.07 Ni O3 A:Trs302 2.38 Ni C2 A:Trs302 3.28 Ni O A:Hoh423 4.19 interactive model: Nickel binding site 2 out of 4 in 1elw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Nickel in the PDB 1elw. 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: His36, conact list: Atom Atom Distance (A) Ni NE2 A:His36 2.04 Ni ND1 A:His36 3.92 Ni CD2 A:His36 3.26 Ni CE1 A:His36 2.69 Ni CG A:His36 4.21 interactive model: Nickel binding site 3 out of 4 in 1elw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Nickel in the PDB 1elw. 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: B: Tyr75, B: Glu97, B: His101, B: Trs303, B: Trs304, B: Hoh492, conact list: Atom Atom Distance (A) Ni OH B:Tyr75 4.24 Ni O B:Glu97 4.96 Ni OE1 B:Glu97 3.67 Ni CD B:Glu97 4.89 Ni NE2 B:His101 2.03 Ni ND1 B:His101 4.11 Ni CD2 B:His101 3.07 Ni CE1 B:His101 2.97 Ni CG B:His101 4.19 Ni O2 B:Trs303 2.15 Ni N B:Trs303 2.15 Ni C1 B:Trs303 2.88 Ni O1 B:Trs303 2.12 Ni C3 B:Trs303 4.14 Ni C B:Trs303 2.67 Ni O3 B:Trs303 4.56 Ni C2 B:Trs303 2.91 Ni O2 B:Trs304 4.07 Ni N B:Trs304 2.13 Ni C1 B:Trs304 4.18 Ni O1 B:Trs304 4.29 Ni C3 B:Trs304 2.82 Ni C B:Trs304 2.85 Ni O3 B:Trs304 2.13 Ni C2 B:Trs304 3.58 Ni O B:Hoh492 4.27 interactive model: Nickel binding site 4 out of 4 in 1elw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Nickel in the PDB 1elw. 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: B: His36, B: Hoh435, conact list: Atom Atom Distance (A) Ni NE2 B:His36 2.18 Ni ND1 B:His36 4.05 Ni CD2 B:His36 3.35 Ni CE1 B:His36 2.84 Ni CG B:His36 4.32 Ni O B:Hoh435 2.33 interactive model: