Strontium in the structure of Uncomplexed Actin Cleaved With Protease ECP32 (pdb 2hmp)

The binding sites of Strontium atom in the structure of Uncomplexed Actin Cleaved With Protease ECP32 (pdb code 2hmp). This binding sites where shown with 5.0 Angstroms radius around Strontium atom. The 2hmp structure was solved by V.A.KLENCHIN, S.Y.KHAITLINA, I.RAYMENT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.9 Space group P212121 a (A) 63.900 b (A) 198.110 c (A) 69.560 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) 21.5 Strontium Binding Sites: Strontium binding site 1 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Strontium in the PDB 2hmp. 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: Asp11, A: Gly13, A: Lys18, A: Gln137, A: Asp154, A: Atp5381, A: Hoh6604, A: Hoh6607, A: Hoh6608, A: Hoh6609, A: Hoh6610, A: Hoh6617, A: Hoh6657, A: Hoh6692, A: Hoh6943, conact list: Atom Atom Distance (A) Sr OD2 A:Asp11 4.78 Sr OD1 A:Asp11 4.83 Sr CA A:Gly13 4.34 Sr NZ A:Lys18 4.48 Sr OE1 A:Gln137 4.38 Sr CD A:Gln137 4.64 Sr OD2 A:Asp154 4.56 Sr OD1 A:Asp154 4.63 Sr CG A:Asp154 5.00 Sr PG A:Atp5381 3.58 Sr O3B A:Atp5381 4.00 Sr O2G A:Atp5381 2.53 Sr PA A:Atp5381 4.86 Sr O2B A:Atp5381 4.98 Sr O3A A:Atp5381 4.36 Sr O3G A:Atp5381 3.93 Sr O1B A:Atp5381 2.42 Sr PB A:Atp5381 3.69 Sr O1G A:Atp5381 4.96 Sr O1A A:Atp5381 4.38 Sr O A:Hoh6604 2.50 Sr O A:Hoh6607 2.51 Sr O A:Hoh6608 2.67 Sr O A:Hoh6609 2.46 Sr O A:Hoh6610 2.65 Sr O A:Hoh6617 4.17 Sr O A:Hoh6657 4.59 Sr O A:Hoh6692 4.45 Sr O A:Hoh6943 4.50 interactive model: Strontium binding site 2 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Strontium in the PDB 2hmp. 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: Phe124, A: Glu125, A: Thr126, A: Asn128, A: Sr2001, A: Hoh6910, A: Hoh6945, A: Hoh6951, A: Hoh6952, conact list: Atom Atom Distance (A) Sr O A:Phe124 4.65 Sr O A:Glu125 2.71 Sr C A:Glu125 3.76 Sr CA A:Glu125 4.26 Sr N A:Thr126 4.86 Sr CB A:Asn128 4.87 Sr ND2 A:Asn128 3.76 Sr OD1 A:Asn128 2.53 Sr CG A:Asn128 3.50 Sr SR A:Sr2001 0.00 Sr SR A:Sr2001 2.63 Sr O A:Hoh6910 4.72 Sr O A:Hoh6945 2.82 Sr O A:Hoh6951 2.76 Sr O A:Hoh6952 2.49 interactive model: Strontium binding site 3 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Strontium in the PDB 2hmp. 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: Glu125, A: Thr126, A: Asn128, A: Sr2001, A: Hoh6910, A: Hoh6951, A: Hoh6952, conact list: Atom Atom Distance (A) Sr O A:Glu125 2.64 Sr C A:Glu125 3.80 Sr CA A:Glu125 4.85 Sr O A:Thr126 4.62 Sr N A:Thr126 4.51 Sr C A:Thr126 4.87 Sr CA A:Thr126 4.31 Sr ND2 A:Asn128 4.80 Sr OD1 A:Asn128 4.62 Sr SR A:Sr2001 2.63 Sr SR A:Sr2001 0.00 Sr O A:Hoh6910 2.76 Sr O A:Hoh6951 3.71 Sr O A:Hoh6952 4.27 interactive model: Strontium binding site 4 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Strontium in the PDB 2hmp. 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: Glu224, A: Glu316, A: Hoh6649, A: Hoh6686, A: Hoh6793, A: Hoh6795, A: Hoh6816, A: Hoh6822, A: Hoh6837, A: Hoh6877, A: Hoh6885, A: Hoh6896, A: Hoh6917, conact list: Atom Atom Distance (A) Sr OE1 A:Glu224 4.49 Sr OE2 A:Glu224 4.89 Sr OE1 A:Glu316 4.96 Sr OE2 A:Glu316 4.58 Sr O A:Hoh6649 4.18 Sr O A:Hoh6686 4.73 Sr O A:Hoh6793 2.96 Sr O A:Hoh6795 4.43 Sr O A:Hoh6816 2.64 Sr O A:Hoh6822 2.80 Sr O A:Hoh6837 2.71 Sr O A:Hoh6877 4.65 Sr O A:Hoh6885 2.76 Sr O A:Hoh6896 2.77 Sr O A:Hoh6917 2.85 interactive model: Strontium binding site 5 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Strontium in the PDB 2hmp. 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: Asp11, B: Gly13, B: Lys18, B: Gln137, B: Asp154, B: Atp5382, B: Hoh6607, B: Hoh6619, B: Hoh6626, B: Hoh6627, B: Hoh6632, B: Hoh6640, B: Hoh6645, B: Hoh6646, conact list: Atom Atom Distance (A) Sr OD2 B:Asp11 4.76 Sr OD1 B:Asp11 4.69 Sr CA B:Gly13 4.36 Sr NZ B:Lys18 4.48 Sr NE2 B:Gln137 4.84 Sr OE1 B:Gln137 4.29 Sr CD B:Gln137 4.48 Sr OD2 B:Asp154 4.66 Sr OD1 B:Asp154 4.93 Sr PG B:Atp5382 3.63 Sr O3B B:Atp5382 4.03 Sr O2G B:Atp5382 2.52 Sr PA B:Atp5382 4.88 Sr O3A B:Atp5382 4.41 Sr O3G B:Atp5382 3.97 Sr O1B B:Atp5382 2.44 Sr PB B:Atp5382 3.74 Sr O1G B:Atp5382 4.99 Sr O1A B:Atp5382 4.37 Sr O B:Hoh6607 2.48 Sr O B:Hoh6619 2.46 Sr O B:Hoh6626 2.72 Sr O B:Hoh6627 2.56 Sr O B:Hoh6632 4.76 Sr O B:Hoh6640 2.43 Sr O B:Hoh6645 4.62 Sr O B:Hoh6646 4.28 interactive model: Strontium binding site 6 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Strontium in the PDB 2hmp. 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: Phe124, B: Glu125, B: Thr126, B: Asn128, B: Sr2003, B: Hoh6647, B: Hoh6715, B: Hoh6719, B: Hoh6759, B: Hoh6807, B: Hoh6818, B: Hoh6848, conact list: Atom Atom Distance (A) Sr O B:Phe124 4.67 Sr O B:Glu125 2.67 Sr C B:Glu125 3.78 Sr CA B:Glu125 4.34 Sr O B:Thr126 4.96 Sr N B:Thr126 4.87 Sr CB B:Asn128 4.88 Sr ND2 B:Asn128 4.07 Sr OD1 B:Asn128 2.56 Sr CG B:Asn128 4.93 Sr CG B:Asn128 3.61 Sr SR B:Sr2003 0.00 Sr SR B:Sr2003 2.71 Sr O B:Hoh6647 2.68 Sr O B:Hoh6715 2.41 Sr O B:Hoh6719 3.04 Sr O B:Hoh6759 2.72 Sr O B:Hoh6807 2.26 Sr O B:Hoh6818 4.30 Sr O B:Hoh6848 4.83 interactive model: Strontium binding site 7 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Strontium in the PDB 2hmp. 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: Glu125, B: Thr126, B: Asn128, B: Sr2003, B: Hoh6647, B: Hoh6715, B: Hoh6719, B: Hoh6759, B: Hoh6807, B: Hoh6848, conact list: Atom Atom Distance (A) Sr O B:Glu125 2.69 Sr C B:Glu125 3.79 Sr CA B:Glu125 4.77 Sr O B:Thr126 4.78 Sr N B:Thr126 4.53 Sr C B:Thr126 4.99 Sr CA B:Thr126 4.43 Sr OD1 B:Asn128 4.62 Sr SR B:Sr2003 2.71 Sr SR B:Sr2003 0.00 Sr O B:Hoh6647 3.29 Sr O B:Hoh6715 4.77 Sr O B:Hoh6719 2.53 Sr O B:Hoh6759 4.62 Sr O B:Hoh6807 2.54 Sr O B:Hoh6848 3.59 interactive model: Strontium binding site 8 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Strontium in the PDB 2hmp. 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: Val30, B: Phe31, B: Asp56, B: Hoh6675, B: Hoh6685, B: Hoh6766, B: Hoh6793, B: Hoh6829, conact list: Atom Atom Distance (A) Sr O B:Val30 2.52 Sr N B:Val30 4.34 Sr CB B:Val30 4.95 Sr C B:Val30 3.74 Sr CA B:Val30 4.58 Sr N B:Phe31 4.65 Sr CB B:Phe31 4.61 Sr CA B:Phe31 4.63 Sr OD2 B:Asp56 4.01 Sr OD1 B:Asp56 4.77 Sr CG B:Asp56 4.83 Sr O B:Hoh6675 2.62 Sr O B:Hoh6685 2.82 Sr O B:Hoh6766 2.78 Sr O B:Hoh6793 2.71 Sr O B:Hoh6829 3.99 interactive model: Strontium binding site 9 out of 9 in 2hmp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Strontium in the PDB 2hmp. 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: Glu83, B: Hoh6711, B: Hoh6778, B: Hoh6824, B: Hoh6825, B: Hoh6833, conact list: Atom Atom Distance (A) Sr OE1 B:Glu83 4.50 Sr OE2 B:Glu83 4.65 Sr CD B:Glu83 4.77 Sr O B:Hoh6711 2.74 Sr O B:Hoh6778 3.17 Sr O B:Hoh6824 2.56 Sr O B:Hoh6825 2.51 Sr O B:Hoh6833 3.89 interactive model: