Strontium in the structure of IRE1 Complexed With Adp and Quercetin (pdb 3lj0)

The binding sites of Strontium atom in the structure of IRE1 Complexed With Adp and Quercetin (pdb code 3lj0). This binding sites where shown with 5.0 Angstroms radius around Strontium atom. The 3lj0 structure was solved by K.P.K.LEE, F.SICHERI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 65.5-3.2 Space group P65 a (A) 131.020 b (A) 131.020 c (A) 175.820 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.7 Rfree (%) 22.4 Strontium Binding Sites: Strontium binding site 1 out of 2 in 3lj0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Strontium in the PDB 3lj0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Strontium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys702, A: Asp797, A: Asp828, A: Gly830, A: Mg2102, A: Adp2101, conact list: Atom Atom Distance (A) Sr NZ A:Lys702 4.99 Sr OD2 A:Asp797 4.55 Sr CB A:Asp828 4.67 Sr OD2 A:Asp828 3.20 Sr OD1 A:Asp828 2.43 Sr CG A:Asp828 3.19 Sr N A:Gly830 4.66 Sr CA A:Gly830 4.47 Sr MG A:Mg2102 4.72 Sr O3B A:Adp2101 3.69 Sr O1B A:Adp2101 4.11 Sr PB A:Adp2101 3.50 Sr O2B A:Adp2101 2.58 Sr O3A A:Adp2101 4.90 interactive model: Strontium binding site 2 out of 2 in 3lj0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Strontium in the PDB 3lj0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Strontium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Lys702, B: Asp797, B: Asp828, B: Gly830, B: Mg2102, B: Adp2101, conact list: Atom Atom Distance (A) Sr NZ B:Lys702 4.75 Sr OD2 B:Asp797 4.94 Sr CB B:Asp828 4.83 Sr OD2 B:Asp828 3.45 Sr OD1 B:Asp828 2.55 Sr CG B:Asp828 3.38 Sr N B:Gly830 4.59 Sr CA B:Gly830 4.34 Sr MG B:Mg2102 4.86 Sr O3B B:Adp2101 4.18 Sr O1B B:Adp2101 4.14 Sr PB B:Adp2101 3.64 Sr O2B B:Adp2101 2.48 Sr O3A B:Adp2101 4.92 interactive model: