Nickel in the structure of Crystal Structure of Transcriptional Regulator (Gntr Family Member) From Pseudomonas Syringae Pv. Tomato Str. DC3000 (pdb 3c7j)

The binding sites of Nickel atom in the structure of Crystal Structure of Transcriptional Regulator (Gntr Family Member) From Pseudomonas Syringae Pv. Tomato Str. DC3000 (pdb code 3c7j). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3c7j structure was solved by B.NOCEK, A.SATHER, M.GU, A.JOACHIMIAK, MIDWEST CENTER FOR STRUCTURALGENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.0-2.1 Space group C2221 a (A) 55.954 b (A) 132.768 c (A) 170.461 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 22.7 Nickel Binding Sites: Nickel binding site 1 out of 2 in 3c7j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3c7j. 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: Asn144, A: His148, A: His192, A: His214, A: Hoh385, A: Hoh456, A: Hoh457, conact list: Atom Atom Distance (A) Ni CB A:Asn144 4.64 Ni ND2 A:Asn144 3.52 Ni OD1 A:Asn144 2.28 Ni CG A:Asn144 3.23 Ni NE2 A:His148 2.23 Ni ND1 A:His148 4.29 Ni CD2 A:His148 3.31 Ni CE1 A:His148 3.13 Ni CG A:His148 4.42 Ni NE2 A:His192 2.30 Ni ND1 A:His192 4.39 Ni CD2 A:His192 3.24 Ni CE1 A:His192 3.30 Ni CG A:His192 4.40 Ni NE2 A:His214 2.17 Ni ND1 A:His214 4.17 Ni CD2 A:His214 3.30 Ni CE1 A:His214 2.98 Ni CG A:His214 4.35 Ni O A:Hoh385 4.01 Ni O A:Hoh456 2.37 Ni O A:Hoh457 2.29 interactive model: Nickel binding site 2 out of 2 in 3c7j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Nickel in the PDB 3c7j. 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: Asn144, B: His148, B: His192, B: His214, B: Hoh312, B: Hoh358, B: Hoh434, conact list: Atom Atom Distance (A) Ni CB B:Asn144 4.55 Ni ND2 B:Asn144 3.53 Ni OD1 B:Asn144 2.15 Ni CG B:Asn144 3.17 Ni NE2 B:His148 2.24 Ni ND1 B:His148 4.32 Ni CD2 B:His148 3.27 Ni CE1 B:His148 3.18 Ni CG B:His148 4.41 Ni NE2 B:His192 2.24 Ni ND1 B:His192 4.28 Ni CD2 B:His192 3.33 Ni CE1 B:His192 3.11 Ni CG B:His192 4.42 Ni NE2 B:His214 2.18 Ni ND1 B:His214 4.20 Ni CD2 B:His214 3.30 Ni CE1 B:His214 3.01 Ni CG B:His214 4.37 Ni O B:Hoh312 2.66 Ni O B:Hoh358 4.79 Ni O B:Hoh434 4.74 interactive model: