The binding sites of Potassium atom in the structure of T13G Mutant Of the Atpase Fragment of Bovine HSC70 (pdb code 2bup). This binding sites where shown with 5.0 Angstroms radius around Potassium atom. The 2bup structure was solved by M.C.SOUSA, D.B.MCKAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 30.0-1.7 | Space group | P212121 | a (A) | 143.350 | b (A) | 64.300 | c (A) | 46.230 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 19.5 | Rfree (%) | 22.4 |
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Potassium binding site 1 out of 2 in 2bup
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Potassium in the PDB 2bup. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Potassium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp10, A: Gly12, A: Tyr15, A: Ser16, A: Asp366, A: Po4488, A: Mg487, A: Adp486, A: Atp489, A: Hoh558, A: Hoh562, A: Hoh563, A: Hoh573, A: Hoh1102, | conact list:
Atom | Atom | Distance (A) | K | O A:Asp10 | 4.91 | K | CB A:Asp10 | 4.67 | K | OD2 A:Asp10 | 2.79 | K | OD1 A:Asp10 | 3.60 | K | CG A:Asp10 | 3.44 | K | N A:Gly12 | 4.29 | K | C A:Gly12 | 4.79 | K | CA A:Gly12 | 3.72 | K | O A:Tyr15 | 2.72 | K | N A:Tyr15 | 4.51 | K | CB A:Tyr15 | 4.44 | K | C A:Tyr15 | 3.74 | K | CA A:Tyr15 | 4.49 | K | N A:Ser16 | 4.63 | K | CA A:Ser16 | 4.69 | K | O A:Asp366 | 4.65 | K | O3 A:Po4488 | 4.85 | K | MG A:Mg487 | 3.65 | K | O3B A:Adp486 | 3.27 | K | PA A:Adp486 | 4.06 | K | O2A A:Adp486 | 4.16 | K | O1B A:Adp486 | 4.98 | K | PB A:Adp486 | 3.50 | K | O2B A:Adp486 | 3.12 | K | O3A A:Adp486 | 3.52 | K | O3B A:Atp489 | 4.84 | K | PA A:Atp489 | 4.03 | K | O2B A:Atp489 | 2.85 | K | O3A A:Atp489 | 3.80 | K | O2A A:Atp489 | 3.92 | K | O1B A:Atp489 | 3.16 | K | PB A:Atp489 | 3.28 | K | O1A A:Atp489 | 4.02 | K | O A:Hoh558 | 2.83 | K | O A:Hoh562 | 3.09 | K | O A:Hoh563 | 2.96 | K | O A:Hoh573 | 4.89 | K | O A:Hoh1102 | 4.63 |
| interactive model:
| Potassium binding site 2 out of 2 in 2bup
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Potassium in the PDB 2bup. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Potassium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp199, A: Leu200, A: Gly201, A: Thr204, A: Phe205, A: Asp206, A: Po4488, A: Mg487, A: Adp486, A: Atp489, A: Hoh509, A: Hoh545, A: Hoh551, A: Hoh560, A: Hoh561, A: Hoh1119, | conact list:
Atom | Atom | Distance (A) | K | O A:Asp199 | 3.39 | K | CB A:Asp199 | 4.17 | K | OD2 A:Asp199 | 3.67 | K | C A:Asp199 | 4.02 | K | OD1 A:Asp199 | 3.14 | K | CG A:Asp199 | 3.40 | K | CA A:Asp199 | 4.75 | K | N A:Leu200 | 4.62 | K | C A:Leu200 | 4.69 | K | CA A:Leu200 | 4.72 | K | N A:Gly201 | 3.94 | K | CA A:Gly201 | 4.53 | K | O A:Thr204 | 3.18 | K | N A:Thr204 | 4.85 | K | CB A:Thr204 | 4.02 | K | OG1 A:Thr204 | 2.87 | K | C A:Thr204 | 3.73 | K | CA A:Thr204 | 4.43 | K | N A:Phe205 | 4.31 | K | C A:Phe205 | 4.61 | K | CA A:Phe205 | 4.48 | K | N A:Asp206 | 4.19 | K | CB A:Asp206 | 4.34 | K | OD2 A:Asp206 | 2.89 | K | OD1 A:Asp206 | 4.88 | K | CG A:Asp206 | 3.89 | K | CA A:Asp206 | 4.93 | K | O1 A:Po4488 | 4.17 | K | O2 A:Po4488 | 2.94 | K | P A:Po4488 | 3.92 | K | O4 A:Po4488 | 4.11 | K | MG A:Mg487 | 4.02 | K | O2B A:Adp486 | 4.86 | K | PG A:Atp489 | 4.52 | K | O2G A:Atp489 | 3.30 | K | O2B A:Atp489 | 4.92 | K | O3G A:Atp489 | 4.70 | K | O A:Hoh509 | 4.26 | K | O A:Hoh545 | 4.75 | K | O A:Hoh551 | 4.46 | K | O A:Hoh560 | 3.25 | K | O A:Hoh561 | 3.96 | K | O A:Hoh1119 | 3.16 |
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