Zinc in the structure of Crystal Structure Of the Regulatory Domain of Human Rig-I With Bound Zn (pdb 2qfb)

The binding sites of Zinc atom in the structure of Crystal Structure Of the Regulatory Domain of Human Rig-I With Bound Zn (pdb code 2qfb). This binding sites where shown with 5.0 Angstroms radius around Zinc atom. The 2qfb structure was solved by S.CUI, A.LAMMENS, K.LAMMENS, K.P.HOPFNER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-3.0 Space group P1211 a (A) 97.900 b (A) 76.600 c (A) 139.400 alpha (°) 90.00 beta (°) 93.30 gamma (°) 90.00 Rfactor (%) 24.8 Rfree (%) 28.5 Zinc Binding Sites: Zinc binding site 1 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys810, A: Lys812, A: Cys813, A: Lys814, A: Ala815, A: Cys864, A: Arg866, A: Cys869, A: Ser870, A: His871, A: Trp873, conact list: Atom Atom Distance (A) Zn CB A:Cys810 3.22 Zn SG A:Cys810 2.19 Zn CA A:Cys810 4.66 Zn C A:Lys812 4.81 Zn N A:Cys813 3.60 Zn CB A:Cys813 2.79 Zn SG A:Cys813 2.27 Zn C A:Cys813 4.47 Zn CA A:Cys813 3.73 Zn N A:Lys814 4.80 Zn CB A:Ala815 4.87 Zn CB A:Cys864 3.04 Zn SG A:Cys864 2.23 Zn CA A:Cys864 4.54 Zn CB A:Arg866 4.26 Zn CB A:Cys869 3.25 Zn SG A:Cys869 1.99 Zn CA A:Cys869 4.60 Zn N A:Ser870 4.88 Zn N A:His871 4.87 Zn CB A:His871 4.39 Zn CZ2 A:Trp873 4.80 Zn NE1 A:Trp873 4.70 interactive model: Zinc binding site 2 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Cys810, B: Lys812, B: Cys813, B: Lys814, B: Ala815, B: Cys864, B: Arg866, B: Cys869, B: His871, B: Trp873, conact list: Atom Atom Distance (A) Zn CB B:Cys810 2.96 Zn SG B:Cys810 2.18 Zn C B:Cys810 4.97 Zn CA B:Cys810 4.44 Zn CB B:Lys812 4.73 Zn C B:Lys812 4.88 Zn N B:Cys813 3.72 Zn CB B:Cys813 3.30 Zn SG B:Cys813 2.10 Zn C B:Cys813 4.64 Zn CA B:Cys813 4.04 Zn N B:Lys814 4.96 Zn N B:Ala815 4.96 Zn CB B:Ala815 4.56 Zn CB B:Cys864 2.98 Zn SG B:Cys864 2.23 Zn CA B:Cys864 4.45 Zn CB B:Arg866 4.48 Zn CB B:Cys869 3.32 Zn SG B:Cys869 2.21 Zn CA B:Cys869 4.68 Zn CB B:His871 4.62 Zn CZ2 B:Trp873 4.55 Zn CE2 B:Trp873 4.88 Zn NE1 B:Trp873 4.48 interactive model: Zinc binding site 3 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Cys810, C: Lys812, C: Cys813, C: Lys814, C: Ala815, C: Cys864, C: Arg866, C: Cys869, C: Ser870, C: His871, C: Trp873, conact list: Atom Atom Distance (A) Zn CB C:Cys810 3.07 Zn SG C:Cys810 2.30 Zn CA C:Cys810 4.53 Zn CB C:Lys812 4.58 Zn C C:Lys812 4.78 Zn N C:Cys813 3.60 Zn CB C:Cys813 3.06 Zn SG C:Cys813 2.24 Zn C C:Cys813 4.71 Zn CA C:Cys813 3.91 Zn N C:Lys814 4.80 Zn CB C:Ala815 4.87 Zn CB C:Cys864 2.96 Zn SG C:Cys864 2.20 Zn CA C:Cys864 4.42 Zn CD C:Arg866 4.69 Zn NH1 C:Arg866 4.97 Zn CB C:Cys869 2.71 Zn SG C:Cys869 2.09 Zn C C:Cys869 4.76 Zn CA C:Cys869 4.19 Zn N C:Ser870 4.70 Zn N C:His871 4.84 Zn CB C:His871 4.48 Zn CZ2 C:Trp873 4.29 Zn CE2 C:Trp873 4.83 Zn NE1 C:Trp873 4.62 interactive model: Zinc binding site 4 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Cys810, D: Lys812, D: Cys813, D: Cys864, D: Arg866, D: Cys869, D: His871, conact list: Atom Atom Distance (A) Zn CB D:Cys810 3.59 Zn SG D:Cys810 2.35 Zn CA D:Cys810 4.96 Zn CB D:Lys812 4.54 Zn C D:Lys812 4.87 Zn N D:Cys813 3.79 Zn CB D:Cys813 3.21 Zn SG D:Cys813 2.28 Zn CA D:Cys813 4.12 Zn O D:Cys864 4.93 Zn CB D:Cys864 3.03 Zn SG D:Cys864 2.36 Zn C D:Cys864 4.91 Zn CA D:Cys864 4.49 Zn CB D:Arg866 4.22 Zn O D:Cys869 3.20 Zn N D:Cys869 4.95 Zn CB D:Cys869 2.73 Zn SG D:Cys869 1.84 Zn C D:Cys869 3.91 Zn CA D:Cys869 3.92 Zn N D:His871 4.97 Zn CB D:His871 4.51 interactive model: Zinc binding site 5 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: Cys810, E: Lys812, E: Cys813, E: Cys864, E: Arg866, E: Cys869, E: His871, E: Trp873, conact list: Atom Atom Distance (A) Zn CB E:Cys810 3.49 Zn SG E:Cys810 2.93 Zn CD E:Lys812 4.72 Zn C E:Lys812 4.98 Zn CG E:Lys812 4.04 Zn N E:Cys813 3.75 Zn CB E:Cys813 2.78 Zn SG E:Cys813 1.97 Zn C E:Cys813 4.72 Zn CA E:Cys813 3.86 Zn CB E:Cys864 2.96 Zn SG E:Cys864 2.10 Zn CA E:Cys864 4.43 Zn CB E:Arg866 4.41 Zn CG E:Arg866 4.67 Zn O E:Cys869 3.88 Zn CB E:Cys869 3.27 Zn SG E:Cys869 2.05 Zn C E:Cys869 4.54 Zn CA E:Cys869 4.53 Zn CB E:His871 4.36 Zn NE1 E:Trp873 4.94 interactive model: Zinc binding site 6 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: F: Cys810, F: Lys812, F: Cys813, F: Lys814, F: Ala815, F: Cys864, F: Arg866, F: Cys869, F: Ser870, F: His871, F: Trp873, conact list: Atom Atom Distance (A) Zn CB F:Cys810 3.19 Zn SG F:Cys810 2.31 Zn CA F:Cys810 4.68 Zn CG F:Lys812 4.52 Zn N F:Cys813 3.79 Zn CB F:Cys813 2.72 Zn SG F:Cys813 2.09 Zn C F:Cys813 4.62 Zn CA F:Cys813 3.83 Zn N F:Lys814 4.72 Zn N F:Ala815 4.99 Zn CB F:Ala815 4.82 Zn CB F:Cys864 3.03 Zn SG F:Cys864 2.29 Zn CA F:Cys864 4.52 Zn CB F:Arg866 4.79 Zn CB F:Cys869 3.13 Zn SG F:Cys869 2.40 Zn CA F:Cys869 4.61 Zn N F:Ser870 4.64 Zn N F:His871 4.61 Zn CB F:His871 4.36 Zn CZ2 F:Trp873 4.59 Zn NE1 F:Trp873 4.72 interactive model: Zinc binding site 7 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: G: Cys810, G: Lys812, G: Cys813, G: Cys864, G: Cys869, G: Ser870, G: His871, G: Trp873, conact list: Atom Atom Distance (A) Zn CB G:Cys810 3.68 Zn SG G:Cys810 2.51 Zn CB G:Lys812 4.40 Zn CD G:Lys812 4.94 Zn C G:Lys812 4.61 Zn CG G:Lys812 4.95 Zn CA G:Lys812 4.98 Zn N G:Cys813 3.46 Zn CB G:Cys813 2.92 Zn SG G:Cys813 2.21 Zn C G:Cys813 4.75 Zn CA G:Cys813 3.78 Zn CB G:Cys864 2.90 Zn SG G:Cys864 2.31 Zn CA G:Cys864 4.41 Zn CB G:Cys869 3.25 Zn SG G:Cys869 2.18 Zn CA G:Cys869 4.66 Zn N G:Ser870 4.86 Zn N G:His871 4.79 Zn CB G:His871 4.43 Zn NE1 G:Trp873 4.92 interactive model: Zinc binding site 8 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: H: Cys810, H: Lys812, H: Cys813, H: Lys814, H: Cys864, H: Arg866, H: Cys869, H: Ser870, H: His871, H: Trp873, conact list: Atom Atom Distance (A) Zn CB H:Cys810 3.15 Zn SG H:Cys810 2.38 Zn CA H:Cys810 4.62 Zn CB H:Lys812 4.73 Zn C H:Lys812 4.94 Zn N H:Cys813 3.82 Zn CB H:Cys813 3.17 Zn SG H:Cys813 2.34 Zn C H:Cys813 4.91 Zn CA H:Cys813 4.10 Zn N H:Lys814 5.00 Zn CB H:Cys864 2.80 Zn SG H:Cys864 2.08 Zn C H:Cys864 4.93 Zn CA H:Cys864 4.28 Zn CB H:Arg866 4.44 Zn CG H:Arg866 4.62 Zn CB H:Cys869 3.14 Zn SG H:Cys869 2.10 Zn C H:Cys869 4.76 Zn CA H:Cys869 4.51 Zn N H:Ser870 4.54 Zn N H:His871 4.61 Zn CB H:His871 4.42 Zn NE1 H:Trp873 4.79 interactive model: Zinc binding site 9 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: I: Cys810, I: Lys812, I: Cys813, I: Cys864, I: Arg866, I: Cys869, I: His871, I: Trp873, conact list: Atom Atom Distance (A) Zn CB I:Cys810 3.18 Zn SG I:Cys810 2.39 Zn CA I:Cys810 4.63 Zn CB I:Lys812 4.81 Zn C I:Lys812 4.89 Zn N I:Cys813 3.77 Zn CB I:Cys813 3.30 Zn SG I:Cys813 2.09 Zn C I:Cys813 4.89 Zn CA I:Cys813 4.12 Zn CB I:Cys864 2.90 Zn SG I:Cys864 2.40 Zn CA I:Cys864 4.42 Zn CB I:Arg866 4.50 Zn CG I:Arg866 4.48 Zn CB I:Cys869 3.82 Zn SG I:Cys869 2.79 Zn N I:His871 4.68 Zn CB I:His871 4.08 Zn CZ2 I:Trp873 4.54 Zn CE2 I:Trp873 4.67 Zn NE1 I:Trp873 4.06 interactive model: Zinc binding site 10 out of 10 in 2qfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Zinc in the PDB 2qfb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: J: Cys810, J: Lys812, J: Cys813, J: Cys864, J: Cys869, J: His871, conact list: Atom Atom Distance (A) Zn CB J:Cys810 4.12 Zn SG J:Cys810 2.95 Zn CB J:Lys812 4.24 Zn C J:Lys812 4.51 Zn CA J:Lys812 4.82 Zn O J:Cys813 4.58 Zn N J:Cys813 3.36 Zn CB J:Cys813 3.10 Zn SG J:Cys813 2.66 Zn C J:Cys813 4.72 Zn CA J:Cys813 3.82 Zn CB J:Cys864 3.67 Zn SG J:Cys864 3.17 Zn O J:Cys869 3.07 Zn CB J:Cys869 3.19 Zn SG J:Cys869 2.36 Zn C J:Cys869 3.93 Zn CA J:Cys869 4.20 Zn N J:His871 4.43 Zn CB J:His871 4.01 Zn CA J:His871 4.88 interactive model: