Fluorine in the structure of Crystal Structure of the Sodium-Potassium Pump (pdb 3b8e)

The binding sites of Fluorine atom in the structure of Crystal Structure of the Sodium-Potassium Pump (pdb code 3b8e). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom. The 3b8e structure was solved by J.P.MORTH, P.B.PEDERSEN, M.S.TOUSTRUP-JENSEN, T.L.M.SOERENSEN, J.PETERSEN, J.P.ANDERSEN, B.VILSEN, P.NISSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-3.5 Space group P212121 a (A) 68.930 b (A) 261.500 c (A) 334.780 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 27.7 Rfree (%) 31.3 Fluorine Binding Sites: Fluorine binding site 1 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr212, A: Asp369, A: Lys370, A: Val609, A: Thr610, A: Gly611, A: Lys691, A: Asn713, A: Asp714, A: Mg2002, A: Mf42001, conact list: Atom Atom Distance (A) F O A:Thr212 4.91 F CB A:Asp369 3.82 F OD2 A:Asp369 3.14 F C A:Asp369 4.61 F OD1 A:Asp369 3.27 F CG A:Asp369 3.11 F CA A:Asp369 3.94 F N A:Lys370 4.45 F O A:Val609 3.39 F C A:Val609 4.26 F N A:Thr610 4.34 F CB A:Thr610 4.00 F OG1 A:Thr610 3.71 F C A:Thr610 4.04 F CA A:Thr610 3.45 F N A:Gly611 3.54 F CA A:Gly611 4.68 F CE A:Lys691 3.99 F CD A:Lys691 4.95 F NZ A:Lys691 2.82 F ND2 A:Asn713 3.36 F OD1 A:Asn713 4.42 F CG A:Asn713 4.33 F OD1 A:Asp714 4.35 F MG A:Mg2002 4.60 F F4 A:Mf42001 2.40 F MG A:Mf42001 1.47 F F3 A:Mf42001 2.40 F F2 A:Mf42001 2.39 F F1 A:Mf42001 0.00 interactive model: Fluorine binding site 2 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr212, A: Gly213, A: Glu214, A: Asp369, A: Thr371, A: Thr610, A: Gly611, A: Asp710, A: Asn713, A: Mg2002, A: Mf42001, conact list: Atom Atom Distance (A) F O A:Thr212 4.48 F O A:Gly213 3.59 F N A:Gly213 4.84 F C A:Gly213 3.85 F CA A:Gly213 3.60 F N A:Glu214 4.89 F OE1 A:Glu214 4.11 F CB A:Asp369 4.26 F OD2 A:Asp369 2.52 F OD1 A:Asp369 2.59 F CG A:Asp369 2.83 F CA A:Asp369 4.86 F O A:Thr371 3.64 F N A:Thr371 4.47 F CB A:Thr371 4.11 F CG2 A:Thr371 4.91 F OG1 A:Thr371 4.91 F C A:Thr371 4.51 F CA A:Thr371 4.58 F OG1 A:Thr610 4.59 F N A:Gly611 4.97 F OD2 A:Asp710 4.19 F OD1 A:Asp710 4.90 F CG A:Asp710 5.00 F ND2 A:Asn713 3.90 F OD1 A:Asn713 4.09 F CG A:Asn713 4.38 F MG A:Mg2002 2.49 F F4 A:Mf42001 2.40 F MG A:Mf42001 1.47 F F3 A:Mf42001 2.39 F F2 A:Mf42001 0.00 F F1 A:Mf42001 2.39 interactive model: Fluorine binding site 3 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr212, A: Gly213, A: Glu214, A: Asp369, A: Thr371, A: Thr610, A: Gly611, A: Asp612, A: Lys691, A: Asn713, A: Mg2002, A: Mf42001, conact list: Atom Atom Distance (A) F O A:Thr212 3.17 F C A:Thr212 4.24 F O A:Gly213 4.46 F N A:Gly213 4.60 F C A:Gly213 4.16 F CA A:Gly213 3.90 F N A:Glu214 4.64 F OE1 A:Glu214 3.40 F CD A:Glu214 4.47 F CG A:Glu214 4.96 F OD2 A:Asp369 4.20 F OD1 A:Asp369 4.71 F CG A:Asp369 4.69 F CB A:Thr371 4.87 F OG1 A:Thr371 5.00 F O A:Thr610 4.92 F CB A:Thr610 4.04 F OG1 A:Thr610 3.04 F C A:Thr610 3.80 F CA A:Thr610 3.90 F O A:Gly611 4.81 F N A:Gly611 2.82 F C A:Gly611 3.76 F CA A:Gly611 3.49 F N A:Asp612 3.36 F CB A:Asp612 4.46 F CA A:Asp612 4.38 F NZ A:Lys691 4.82 F ND2 A:Asn713 4.04 F MG A:Mg2002 4.81 F F4 A:Mf42001 2.41 F MG A:Mf42001 1.47 F F3 A:Mf42001 0.00 F F2 A:Mf42001 2.39 F F1 A:Mf42001 2.40 interactive model: Fluorine binding site 4 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu214, A: Asp369, A: Lys370, A: Thr371, A: Val609, A: Thr610, A: Gly611, A: Asp612, A: Mg2002, A: Mf42001, conact list: Atom Atom Distance (A) F OE1 A:Glu214 4.11 F O A:Asp369 4.74 F CB A:Asp369 4.25 F OD2 A:Asp369 2.41 F C A:Asp369 3.83 F OD1 A:Asp369 3.92 F CG A:Asp369 3.30 F CA A:Asp369 4.04 F O A:Lys370 4.97 F N A:Lys370 3.21 F CB A:Lys370 3.75 F CE A:Lys370 4.89 F C A:Lys370 3.86 F CG A:Lys370 4.96 F CA A:Lys370 3.81 F O A:Thr371 4.06 F N A:Thr371 3.09 F CB A:Thr371 3.72 F OG1 A:Thr371 4.00 F C A:Thr371 4.45 F CA A:Thr371 3.88 F O A:Val609 4.52 F N A:Thr610 4.97 F CB A:Thr610 3.41 F CG2 A:Thr610 4.78 F OG1 A:Thr610 2.58 F C A:Thr610 4.59 F CA A:Thr610 3.86 F N A:Gly611 4.25 F N A:Asp612 4.76 F CB A:Asp612 4.95 F MG A:Mg2002 4.27 F F4 A:Mf42001 0.00 F MG A:Mf42001 1.47 F F3 A:Mf42001 2.41 F F2 A:Mf42001 2.40 F F1 A:Mf42001 2.40 interactive model: Fluorine binding site 5 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Thr212, C: Asp369, C: Lys370, C: Val609, C: Thr610, C: Gly611, C: Lys691, C: Asn713, C: Asp714, C: Mg2002, C: Mf42001, conact list: Atom Atom Distance (A) F O C:Thr212 4.94 F CB C:Asp369 3.81 F OD2 C:Asp369 3.14 F C C:Asp369 4.60 F OD1 C:Asp369 3.27 F CG C:Asp369 3.10 F CA C:Asp369 3.93 F N C:Lys370 4.45 F O C:Val609 3.39 F C C:Val609 4.26 F N C:Thr610 4.35 F CB C:Thr610 4.01 F OG1 C:Thr610 3.73 F C C:Thr610 4.07 F CA C:Thr610 3.46 F N C:Gly611 3.57 F CA C:Gly611 4.70 F CE C:Lys691 4.02 F CD C:Lys691 4.96 F NZ C:Lys691 2.83 F ND2 C:Asn713 3.37 F OD1 C:Asn713 4.42 F CG C:Asn713 4.34 F OD1 C:Asp714 4.33 F MG C:Mg2002 4.57 F F4 C:Mf42001 2.40 F MG C:Mf42001 1.48 F F3 C:Mf42001 2.42 F F2 C:Mf42001 2.40 F F1 C:Mf42001 0.00 interactive model: Fluorine binding site 6 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Thr212, C: Gly213, C: Glu214, C: Asp369, C: Thr371, C: Thr610, C: Gly611, C: Asp710, C: Asn713, C: Mg2002, C: Mf42001, conact list: Atom Atom Distance (A) F O C:Thr212 4.52 F O C:Gly213 3.58 F N C:Gly213 4.85 F C C:Gly213 3.84 F CA C:Gly213 3.60 F N C:Glu214 4.88 F OE1 C:Glu214 4.09 F CB C:Asp369 4.27 F OD2 C:Asp369 2.51 F OD1 C:Asp369 2.60 F CG C:Asp369 2.83 F CA C:Asp369 4.87 F O C:Thr371 3.62 F N C:Thr371 4.47 F CB C:Thr371 4.09 F CG2 C:Thr371 4.90 F OG1 C:Thr371 4.90 F C C:Thr371 4.49 F CA C:Thr371 4.56 F OG1 C:Thr610 4.62 F N C:Gly611 4.99 F OD2 C:Asp710 4.19 F OD1 C:Asp710 4.88 F CG C:Asp710 4.98 F ND2 C:Asn713 3.91 F OD1 C:Asn713 4.10 F CG C:Asn713 4.38 F MG C:Mg2002 2.47 F F4 C:Mf42001 2.40 F MG C:Mf42001 1.47 F F3 C:Mf42001 2.40 F F2 C:Mf42001 0.00 F F1 C:Mf42001 2.40 interactive model: Fluorine binding site 7 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Thr212, C: Gly213, C: Glu214, C: Asp369, C: Thr371, C: Thr610, C: Gly611, C: Asp612, C: Lys691, C: Asn713, C: Mg2002, C: Mf42001, conact list: Atom Atom Distance (A) F O C:Thr212 3.18 F C C:Thr212 4.24 F O C:Gly213 4.44 F N C:Gly213 4.59 F C C:Gly213 4.15 F CA C:Gly213 3.90 F N C:Glu214 4.62 F OE1 C:Glu214 3.35 F CD C:Glu214 4.43 F CG C:Glu214 4.93 F OD2 C:Asp369 4.21 F OD1 C:Asp369 4.73 F CG C:Asp369 4.70 F CB C:Thr371 4.84 F OG1 C:Thr371 4.97 F O C:Thr610 4.94 F CB C:Thr610 4.06 F OG1 C:Thr610 3.07 F C C:Thr610 3.82 F CA C:Thr610 3.92 F O C:Gly611 4.79 F N C:Gly611 2.85 F C C:Gly611 3.76 F CA C:Gly611 3.51 F N C:Asp612 3.35 F CB C:Asp612 4.44 F CA C:Asp612 4.36 F NZ C:Lys691 4.86 F ND2 C:Asn713 4.06 F MG C:Mg2002 4.79 F F4 C:Mf42001 2.40 F MG C:Mf42001 1.48 F F3 C:Mf42001 0.00 F F2 C:Mf42001 2.40 F F1 C:Mf42001 2.42 interactive model: Fluorine binding site 8 out of 8 in 3b8e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Fluorine in the PDB 3b8e. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu214, C: Asp369, C: Lys370, C: Thr371, C: Val609, C: Thr610, C: Gly611, C: Asp612, C: Mg2002, C: Mf42001, conact list: Atom Atom Distance (A) F OE1 C:Glu214 4.08 F O C:Asp369 4.77 F CB C:Asp369 4.27 F OD2 C:Asp369 2.43 F C C:Asp369 3.86 F OD1 C:Asp369 3.94 F CG C:Asp369 3.32 F CA C:Asp369 4.06 F O C:Lys370 4.97 F N C:Lys370 3.24 F CB C:Lys370 3.77 F CE C:Lys370 4.89 F C C:Lys370 3.87 F CG C:Lys370 4.96 F CA C:Lys370 3.83 F O C:Thr371 4.05 F N C:Thr371 3.08 F CB C:Thr371 3.69 F OG1 C:Thr371 3.98 F C C:Thr371 4.44 F CA C:Thr371 3.86 F O C:Val609 4.53 F N C:Thr610 4.99 F CB C:Thr610 3.43 F CG2 C:Thr610 4.79 F OG1 C:Thr610 2.59 F C C:Thr610 4.60 F CA C:Thr610 3.88 F N C:Gly611 4.26 F N C:Asp612 4.75 F CB C:Asp612 4.92 F MG C:Mg2002 4.25 F F4 C:Mf42001 0.00 F MG C:Mf42001 1.47 F F3 C:Mf42001 2.40 F F2 C:Mf42001 2.40 F F1 C:Mf42001 2.40 interactive model: