The binding sites of Strontium atom in the structure of Crystal Structure of Malonate Occupied Dctb (pdb code 3e4p). This binding sites where shown with 5.0 Angstroms radius around Strontium atom.
The 3e4p structure was solved by Y.F.ZHOU, J.NAN, B.Y.NAN, Y.H.LIANG, S.PANJIKAR, X.D.SU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 30.0-2.3 | | Space group | P1211 | | a (A) | 57.980 | | b (A) | 39.100 | | c (A) | 111.540 | | alpha (°) | 90.00 | | beta (°) | 94.78 | | gamma (°) | 90.00 | | Rfactor (%) | 19.6 | | Rfree (%) | 26.2 |
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Strontium binding site 1 out of 3 in 3e4p
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Strontium in the PDB 3e4p. 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: Arg80, A: Glu165, A: Thr298, A: Asn299, A: Trp300, | conact list:
| Atom | Atom | Distance (A) | | Sr | NH2 A:Arg80 | 4.63 | | Sr | OE1 A:Glu165 | 4.03 | | Sr | CB A:Thr298 | 3.73 | | Sr | CG2 A:Thr298 | 4.28 | | Sr | OG1 A:Thr298 | 4.78 | | Sr | C A:Thr298 | 4.41 | | Sr | CA A:Thr298 | 4.07 | | Sr | N A:Asn299 | 3.71 | | Sr | ND2 A:Asn299 | 3.43 | | Sr | OD1 A:Asn299 | 4.73 | | Sr | CG A:Asn299 | 4.24 | | Sr | CA A:Asn299 | 4.75 | | Sr | N A:Trp300 | 4.91 | | Sr | CD1 A:Trp300 | 3.91 | | Sr | CD2 A:Trp300 | 3.94 | | Sr | CE3 A:Trp300 | 4.64 | | Sr | CG A:Trp300 | 4.10 | | Sr | CZ3 A:Trp300 | 4.99 | | Sr | CZ2 A:Trp300 | 4.10 | | Sr | CE2 A:Trp300 | 3.63 | | Sr | NE1 A:Trp300 | 3.62 | | Sr | CH2 A:Trp300 | 4.75 |
| interactive model:
| Strontium binding site 2 out of 3 in 3e4p
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Strontium in the PDB 3e4p. 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: Phe151, B: Arg152, B: Asp153, B: His166, B: Glu249, B: Ser250, B: Gln252, B: Hoh622, B: Hoh623, B: Hoh652, | conact list:
| Atom | Atom | Distance (A) | | Sr | O B:Phe151 | 4.50 | | Sr | CD B:Arg152 | 4.60 | | Sr | C B:Arg152 | 4.53 | | Sr | CA B:Arg152 | 4.30 | | Sr | N B:Asp153 | 3.74 | | Sr | CB B:Asp153 | 4.28 | | Sr | OD2 B:Asp153 | 4.04 | | Sr | OD1 B:Asp153 | 4.13 | | Sr | CG B:Asp153 | 3.92 | | Sr | CA B:Asp153 | 4.63 | | Sr | NE2 B:His166 | 4.27 | | Sr | CD2 B:His166 | 4.34 | | Sr | O B:Glu249 | 4.94 | | Sr | O B:Ser250 | 4.62 | | Sr | OE1 B:Gln252 | 4.29 | | Sr | O B:Hoh622 | 4.85 | | Sr | O B:Hoh623 | 3.66 | | Sr | O B:Hoh652 | 2.78 |
| interactive model:
| Strontium binding site 3 out of 3 in 3e4p
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Strontium in the PDB 3e4p. 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: Arg80, B: Glu165, B: Thr298, B: Asn299, B: Trp300, B: Hoh643, | conact list:
| Atom | Atom | Distance (A) | | Sr | NH2 B:Arg80 | 4.94 | | Sr | OE1 B:Glu165 | 4.10 | | Sr | CB B:Thr298 | 3.82 | | Sr | CG2 B:Thr298 | 4.42 | | Sr | OG1 B:Thr298 | 4.83 | | Sr | C B:Thr298 | 4.52 | | Sr | CA B:Thr298 | 4.18 | | Sr | N B:Asn299 | 3.78 | | Sr | ND2 B:Asn299 | 3.44 | | Sr | C B:Asn299 | 4.92 | | Sr | OD1 B:Asn299 | 4.48 | | Sr | CG B:Asn299 | 4.11 | | Sr | CA B:Asn299 | 4.74 | | Sr | N B:Trp300 | 4.67 | | Sr | CD1 B:Trp300 | 3.86 | | Sr | CD2 B:Trp300 | 3.97 | | Sr | CE3 B:Trp300 | 4.70 | | Sr | CG B:Trp300 | 4.12 | | Sr | CZ2 B:Trp300 | 4.09 | | Sr | CE2 B:Trp300 | 3.63 | | Sr | NE1 B:Trp300 | 3.53 | | Sr | CH2 B:Trp300 | 4.76 | | Sr | O B:Hoh643 | 4.86 |
| interactive model:
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