Lanthanum in the structure of Phosphoinositide-Specific Phospholipase C-DELTA1 From Rat Complexed With Lanthanum (pdb 1djg)

The binding sites of Lanthanum atom in the structure of Phosphoinositide-Specific Phospholipase C-DELTA1 From Rat Complexed With Lanthanum (pdb code 1djg). This binding sites where shown with 5.0 Angstroms radius around Lanthanum atom. The 1djg structure was solved by L.-O.ESSEN, O.PERISIC, R.L.WILLIAMS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.6 Space group F41321 a (A) 397.920 b (A) 397.920 c (A) 397.920 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21 Rfree (%) 27 Lanthanum Binding Sites: Lanthanum binding site 1 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn312, A: Tyr314, A: Glu341, A: Asp343, A: His356, A: Glu390, A: Hoh855, A: Hoh859, A: Hoh923, A: Hoh970, A: Hoh1018, A: Hoh1069, conact list: Atom Atom Distance (A) La CB A:Asn312 4.97 La ND2 A:Asn312 4.07 La OD1 A:Asn312 2.64 La CG A:Asn312 3.67 La OH A:Tyr314 4.62 La OE1 A:Glu341 3.70 La CD A:Glu341 4.91 La CB A:Asp343 4.49 La OD2 A:Asp343 2.63 La OD1 A:Asp343 2.68 La CG A:Asp343 2.99 La CD2 A:His356 4.99 La OE1 A:Glu390 2.52 La CB A:Glu390 4.67 La OE2 A:Glu390 3.67 La CD A:Glu390 3.39 La CG A:Glu390 4.62 La O A:Hoh855 3.76 La O A:Hoh859 4.59 La O A:Hoh923 4.59 La O A:Hoh970 3.51 La O A:Hoh1018 2.49 La O A:Hoh1069 4.06 interactive model: Lanthanum binding site 2 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser650, A: Ile651, A: Val652, A: Asp653, A: Asn677, A: La3, A: Hoh932, A: Hoh1032, A: Hoh1053, A: Hoh1075, conact list: Atom Atom Distance (A) La CB A:Ser650 4.46 La OG A:Ser650 3.09 La O A:Ile651 2.50 La N A:Ile651 4.12 La CB A:Ile651 4.80 La C A:Ile651 3.69 La CA A:Ile651 4.46 La O A:Val652 4.50 La N A:Val652 4.70 La C A:Val652 4.45 La CA A:Val652 4.86 La N A:Asp653 4.63 La CB A:Asp653 4.33 La OD2 A:Asp653 2.45 La OD1 A:Asp653 2.57 La CG A:Asp653 2.84 La CA A:Asp653 4.97 La N A:Asn677 4.48 La CB A:Asn677 4.74 La ND2 A:Asn677 4.34 La OD1 A:Asn677 2.45 La CG A:Asn677 3.64 La CA A:Asn677 4.61 La LA A:La3 3.99 La O A:Hoh932 1.77 La O A:Hoh1032 2.44 La O A:Hoh1053 3.24 La O A:Hoh1075 4.76 interactive model: Lanthanum binding site 3 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ile651, A: Val652, A: Asp653, A: Asp706, A: Tyr707, A: Asp708, A: La2, A: La4, A: Hoh1032, A: Hoh1053, A: Hoh1075, conact list: Atom Atom Distance (A) La O A:Ile651 4.73 La C A:Val652 5.00 La N A:Asp653 4.27 La CB A:Asp653 3.83 La OD2 A:Asp653 2.51 La OD1 A:Asp653 4.47 La CG A:Asp653 3.44 La CA A:Asp653 4.69 La O A:Asp706 4.73 La CB A:Asp706 4.67 La OD2 A:Asp706 3.39 La C A:Asp706 4.57 La OD1 A:Asp706 2.74 La CG A:Asp706 3.35 La O A:Tyr707 2.45 La N A:Tyr707 4.49 La C A:Tyr707 3.61 La CA A:Tyr707 4.64 La N A:Asp708 4.38 La CB A:Asp708 4.60 La OD2 A:Asp708 4.60 La OD1 A:Asp708 2.54 La CG A:Asp708 3.75 La CA A:Asp708 4.30 La LA A:La2 3.99 La LA A:La4 4.16 La O A:Hoh1032 4.50 La O A:Hoh1053 2.72 La O A:Hoh1075 3.48 interactive model: Lanthanum binding site 4 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp706, A: Asp708, A: Asp714, A: La3, A: Hoh1053, A: Hoh1073, conact list: Atom Atom Distance (A) La CB A:Asp706 4.78 La OD2 A:Asp706 3.35 La OD1 A:Asp706 4.80 La CG A:Asp706 4.10 La CB A:Asp708 4.58 La OD2 A:Asp708 2.81 La OD1 A:Asp708 2.86 La CG A:Asp708 3.15 La CB A:Asp714 4.44 La OD2 A:Asp714 3.13 La OD1 A:Asp714 4.13 La CG A:Asp714 3.65 La LA A:La3 4.16 La O A:Hoh1053 4.15 La O A:Hoh1073 3.48 interactive model: Lanthanum binding site 5 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His311, B: Asn312, B: Tyr314, B: Glu341, B: Asp343, B: Glu390, B: Hoh864, B: Hoh890, B: Hoh946, B: Hoh1045, B: Hoh1094, B: Hoh1118, conact list: Atom Atom Distance (A) La NE2 B:His311 4.95 La ND2 B:Asn312 4.16 La OD1 B:Asn312 2.79 La CG B:Asn312 3.80 La OH B:Tyr314 4.50 La OE1 B:Glu341 3.72 La CD B:Glu341 4.92 La CB B:Asp343 4.55 La OD2 B:Asp343 2.61 La OD1 B:Asp343 2.83 La CG B:Asp343 3.07 La OE1 B:Glu390 2.70 La CB B:Glu390 4.76 La OE2 B:Glu390 3.72 La CD B:Glu390 3.50 La CG B:Glu390 4.73 La O B:Hoh864 4.88 La O B:Hoh890 4.45 La O B:Hoh946 3.41 La O B:Hoh1045 4.54 La O B:Hoh1094 3.27 La O B:Hoh1118 4.86 interactive model: Lanthanum binding site 6 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ser650, B: Ile651, B: Val652, B: Asp653, B: Asn677, B: La3, B: Hoh918, B: Hoh920, B: Hoh965, B: Hoh1048, B: Hoh1049, conact list: Atom Atom Distance (A) La OG B:Ser650 4.46 La O B:Ile651 2.35 La N B:Ile651 4.22 La CB B:Ile651 4.81 La C B:Ile651 3.55 La CA B:Ile651 4.38 La O B:Val652 4.60 La N B:Val652 4.54 La C B:Val652 4.49 La CA B:Val652 4.76 La N B:Asp653 4.63 La CB B:Asp653 4.44 La OD2 B:Asp653 2.93 La OD1 B:Asp653 2.47 La CG B:Asp653 3.01 La N B:Asn677 4.65 La CB B:Asn677 4.79 La ND2 B:Asn677 4.41 La OD1 B:Asn677 2.53 La CG B:Asn677 3.72 La CA B:Asn677 4.66 La LA B:La3 3.98 La O B:Hoh918 2.88 La O B:Hoh920 2.45 La O B:Hoh965 3.94 La O B:Hoh1048 3.48 La O B:Hoh1049 4.07 interactive model: Lanthanum binding site 7 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ile651, B: Asp653, B: Asp706, B: Tyr707, B: Asp708, B: La2, B: La4, B: Hoh920, B: Hoh965, B: Hoh1048, B: Hoh1049, conact list: Atom Atom Distance (A) La O B:Ile651 4.65 La N B:Asp653 4.34 La CB B:Asp653 4.00 La OD2 B:Asp653 3.46 La OD1 B:Asp653 4.17 La CG B:Asp653 3.63 La CA B:Asp653 4.82 La O B:Asp706 4.88 La CB B:Asp706 4.64 La OD2 B:Asp706 3.27 La C B:Asp706 4.68 La OD1 B:Asp706 2.64 La CG B:Asp706 3.26 La O B:Tyr707 2.55 La N B:Tyr707 4.53 La C B:Tyr707 3.65 La CA B:Tyr707 4.68 La N B:Asp708 4.40 La CB B:Asp708 4.59 La OD2 B:Asp708 4.45 La OD1 B:Asp708 2.45 La CG B:Asp708 3.67 La CA B:Asp708 4.38 La LA B:La2 3.98 La LA B:La4 3.66 La O B:Hoh920 4.81 La O B:Hoh965 4.06 La O B:Hoh1048 2.51 La O B:Hoh1049 3.15 interactive model: Lanthanum binding site 8 out of 8 in 1djg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Lanthanum in the PDB 1djg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Lanthanum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp706, B: Asp708, B: Asp714, B: La3, B: Hoh965, B: Hoh1048, B: Hoh1111, B: Hoh1124, conact list: Atom Atom Distance (A) La CB B:Asp706 4.54 La OD2 B:Asp706 2.96 La OD1 B:Asp706 4.34 La CG B:Asp706 3.72 La CB B:Asp708 4.53 La OD2 B:Asp708 2.66 La OD1 B:Asp708 2.92 La CG B:Asp708 3.10 La CB B:Asp714 4.44 La OD2 B:Asp714 2.82 La OD1 B:Asp714 4.60 La CG B:Asp714 3.77 La LA B:La3 3.66 La O B:Hoh965 4.61 La O B:Hoh1048 3.50 La O B:Hoh1111 3.38 La O B:Hoh1124 4.42 interactive model: