Zinc in the structure of Structure Of Human Insulin in Presence of Thiocyanate At pH 6.5 (pdb 2om1)

The binding sites of Zinc atom in the structure of Structure Of Human Insulin in Presence of Thiocyanate At pH 6.5 (pdb code 2om1). This binding sites where shown with 5.0 Angstroms radius around Zinc atom. The 2om1 structure was solved by M.NORRMAN, G.SCHLUCKEBIER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group C22211 a (A) 59.000 b (A) 219.480 c (A) 224.480 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 21.2 Zinc Binding Sites: Zinc binding site 1 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 2om1. 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: Leu6, B: His10, F: Leu6, F: His10, J: Leu6, J: His10, B: Scn905, B: Hoh909, conact list: Atom Atom Distance (A) Zn O B:Leu6 4.70 Zn CB B:Leu6 4.87 Zn NE2 B:His10 1.97 Zn ND1 B:His10 4.06 Zn CD2 B:His10 2.96 Zn CE1 B:His10 2.96 Zn CG B:His10 4.09 Zn O F:Leu6 4.71 Zn CB F:Leu6 4.75 Zn NE2 F:His10 1.92 Zn ND1 F:His10 3.98 Zn CD2 F:His10 3.01 Zn CE1 F:His10 2.82 Zn CG F:His10 4.10 Zn O J:Leu6 4.60 Zn CB J:Leu6 4.77 Zn NE2 J:His10 2.00 Zn ND1 J:His10 4.06 Zn CD2 J:His10 3.08 Zn CE1 J:His10 2.90 Zn CG J:His10 4.17 Zn S B:Scn905 4.76 Zn N B:Scn905 1.83 Zn C B:Scn905 2.98 Zn O B:Hoh909 4.87 interactive model: Zinc binding site 2 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Zinc in the PDB 2om1. 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: Leu6, D: His10, H: Leu6, H: His10, L: Leu6, L: His10, D: Scn906, D: Hoh917, H: Hoh46, H: Hoh47, L: Hoh47, conact list: Atom Atom Distance (A) Zn O D:Leu6 4.69 Zn CB D:Leu6 4.84 Zn NE2 D:His10 1.97 Zn ND1 D:His10 4.05 Zn CD2 D:His10 3.04 Zn CE1 D:His10 2.91 Zn CG D:His10 4.14 Zn O H:Leu6 4.81 Zn CB H:Leu6 4.73 Zn NE2 H:His10 2.02 Zn ND1 H:His10 4.10 Zn CD2 H:His10 3.04 Zn CE1 H:His10 2.97 Zn CG H:His10 4.16 Zn O L:Leu6 4.72 Zn CB L:Leu6 4.88 Zn NE2 L:His10 2.00 Zn ND1 L:His10 4.04 Zn CD2 L:His10 3.08 Zn CE1 L:His10 2.88 Zn CG L:His10 4.17 Zn S D:Scn906 4.74 Zn N D:Scn906 1.81 Zn C D:Scn906 2.96 Zn O D:Hoh917 4.89 Zn O H:Hoh46 4.13 Zn O H:Hoh47 4.85 Zn O L:Hoh47 4.85 interactive model: Zinc binding site 3 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Zinc in the PDB 2om1. 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: R: Leu6, R: His10, T: Leu6, T: His10, V: Leu6, V: His10, R: Scn903, R: Hoh923, R: Hoh928, T: Hoh1107, conact list: Atom Atom Distance (A) Zn O R:Leu6 4.74 Zn CB R:Leu6 4.59 Zn NE2 R:His10 2.05 Zn ND1 R:His10 4.11 Zn CD2 R:His10 3.10 Zn CE1 R:His10 2.97 Zn CG R:His10 4.20 Zn O T:Leu6 4.86 Zn CB T:Leu6 4.76 Zn NE2 T:His10 1.96 Zn ND1 T:His10 4.01 Zn CD2 T:His10 3.07 Zn CE1 T:His10 2.84 Zn CG T:His10 4.14 Zn O V:Leu6 4.76 Zn CB V:Leu6 4.62 Zn NE2 V:His10 1.94 Zn ND1 V:His10 4.01 Zn CD2 V:His10 3.01 Zn CE1 V:His10 2.87 Zn CG V:His10 4.11 Zn S R:Scn903 4.80 Zn N R:Scn903 1.88 Zn C R:Scn903 3.03 Zn O R:Hoh923 4.28 Zn O R:Hoh928 4.95 Zn O T:Hoh1107 4.91 interactive model: Zinc binding site 4 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Zinc in the PDB 2om1. 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: Y: Leu6, Y: His10, 2: Leu6, 2: His10, 4: Leu6, 4: His10, Y: Scn904, Y: Hoh915, 2: Hoh41, 4: Hoh32, conact list: Atom Atom Distance (A) Zn O Y:Leu6 4.63 Zn CB Y:Leu6 4.87 Zn CG Y:Leu6 4.95 Zn NE2 Y:His10 2.01 Zn ND1 Y:His10 4.09 Zn CD2 Y:His10 3.06 Zn CE1 Y:His10 2.95 Zn CG Y:His10 4.17 Zn O 2:Leu6 4.74 Zn CB 2:Leu6 4.77 Zn NE2 2:His10 2.01 Zn ND1 2:His10 4.08 Zn CD2 2:His10 3.05 Zn CE1 2:His10 2.94 Zn CG 2:His10 4.16 Zn O 4:Leu6 4.74 Zn CB 4:Leu6 4.87 Zn NE2 4:His10 2.02 Zn ND1 4:His10 4.07 Zn CD2 4:His10 3.10 Zn CE1 4:His10 2.92 Zn CG 4:His10 4.19 Zn S Y:Scn904 4.74 Zn N Y:Scn904 1.83 Zn C Y:Scn904 2.97 Zn O Y:Hoh915 4.79 Zn O 2:Hoh41 4.87 Zn O 4:Hoh32 4.90 interactive model: Zinc binding site 5 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Zinc in the PDB 2om1. 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: Leu6, b: His10, d: Leu6, d: His10, f: Leu6, f: His10, b: Scn901, d: Hoh42, f: Hoh38, f: Hoh39, conact list: Atom Atom Distance (A) Zn O b:Leu6 4.69 Zn CB b:Leu6 4.79 Zn NE2 b:His10 2.07 Zn ND1 b:His10 4.18 Zn CD2 b:His10 3.02 Zn CE1 b:His10 3.08 Zn CG b:His10 4.18 Zn O d:Leu6 4.75 Zn CB d:Leu6 4.79 Zn NE2 d:His10 2.03 Zn ND1 d:His10 4.11 Zn CD2 d:His10 3.02 Zn CE1 d:His10 3.00 Zn CG d:His10 4.16 Zn O f:Leu6 4.63 Zn CB f:Leu6 4.89 Zn NE2 f:His10 2.05 Zn ND1 f:His10 4.13 Zn CD2 f:His10 3.07 Zn CE1 f:His10 3.00 Zn CG f:His10 4.20 Zn S b:Scn901 4.79 Zn N b:Scn901 1.84 Zn C b:Scn901 3.00 Zn O d:Hoh42 4.92 Zn O f:Hoh38 4.95 Zn O f:Hoh39 4.07 interactive model: Zinc binding site 6 out of 6 in 2om1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Zinc in the PDB 2om1. 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: Leu6, h: His10, j: Leu6, j: His10, l: Leu6, l: His10, h: Scn902, h: Hoh909, l: Hoh31, conact list: Atom Atom Distance (A) Zn O h:Leu6 4.65 Zn CB h:Leu6 4.71 Zn NE2 h:His10 2.01 Zn ND1 h:His10 4.12 Zn CD2 h:His10 2.93 Zn CE1 h:His10 3.05 Zn CG h:His10 4.10 Zn O j:Leu6 4.68 Zn CB j:Leu6 4.81 Zn NE2 j:His10 2.06 Zn ND1 j:His10 4.08 Zn CD2 j:His10 3.18 Zn CE1 j:His10 2.89 Zn CG j:His10 4.23 Zn O l:Leu6 4.74 Zn CB l:Leu6 4.84 Zn NE2 l:His10 1.99 Zn ND1 l:His10 4.05 Zn CD2 l:His10 3.07 Zn CE1 l:His10 2.90 Zn CG l:His10 4.16 Zn S h:Scn902 4.70 Zn N h:Scn902 1.75 Zn C h:Scn902 2.91 Zn O h:Hoh909 4.85 Zn O l:Hoh31 4.99 interactive model: