The binding sites of Fluorine atom in the structure of Cathepsin S in Complex With Non Covalent Arylaminoethyl Amide. (pdb code 2hhn). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 2hhn structure was solved by G.SPRAGGON, M.HORNSBY, S.A.LESLEY, D.C.TULLY, J.L.HARRIS, D.S.KARENEWSKY, R.KULATHILA, K.CLARK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 84.2-1.6 | | Space group | P4122 | | a (A) | 85.532 | | b (A) | 85.532 | | c (A) | 150.403 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 15.5 | | Rfree (%) | 18 |
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Fluorine binding site 1 out of 3 in 2hhn
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2hhn. 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: B: Gln19, B: Gly20, B: Ser185, B: Trp186, B: Gnq901, B: Hoh983, B: Hoh1023, | conact list:
| Atom | Atom | Distance (A) | | F | NE2 B:Gln19 | 3.45 | | F | OE1 B:Gln19 | 4.36 | | F | CB B:Gln19 | 4.53 | | F | CD B:Gln19 | 3.51 | | F | C B:Gln19 | 4.83 | | F | CG B:Gln19 | 3.14 | | F | O B:Gly20 | 3.22 | | F | N B:Gly20 | 4.28 | | F | C B:Gly20 | 4.24 | | F | CA B:Gly20 | 4.64 | | F | O B:Ser185 | 4.77 | | F | CB B:Trp186 | 4.54 | | F | CD1 B:Trp186 | 3.05 | | F | CD2 B:Trp186 | 4.20 | | F | CG B:Trp186 | 3.72 | | F | CA B:Trp186 | 4.61 | | F | CZ2 B:Trp186 | 4.81 | | F | CE2 B:Trp186 | 3.89 | | F | NE1 B:Trp186 | 3.17 | | F | C1 B:Gnq901 | 1.32 | | F | O1 B:Gnq901 | 2.31 | | F | C2 B:Gnq901 | 3.11 | | F | C6 B:Gnq901 | 4.89 | | F | C5 B:Gnq901 | 3.73 | | F | F3 B:Gnq901 | 2.14 | | F | F1 B:Gnq901 | 0.00 | | F | F2 B:Gnq901 | 2.14 | | F | C3 B:Gnq901 | 3.99 | | F | O B:Hoh983 | 2.91 | | F | O B:Hoh1023 | 3.24 |
| interactive model:
| Fluorine binding site 2 out of 3 in 2hhn
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 2hhn. 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: B: Gln19, B: Gly20, B: Ser21, B: Trp186, B: Gnq901, B: Hoh983, B: Hoh1023, | conact list:
| Atom | Atom | Distance (A) | | F | NE2 B:Gln19 | 4.30 | | F | CD B:Gln19 | 4.86 | | F | CG B:Gln19 | 4.52 | | F | O B:Gly20 | 2.64 | | F | N B:Gly20 | 4.92 | | F | C B:Gly20 | 3.70 | | F | CA B:Gly20 | 4.66 | | F | N B:Ser21 | 4.45 | | F | C B:Ser21 | 4.75 | | F | CA B:Ser21 | 4.32 | | F | NE1 B:Trp186 | 4.81 | | F | C1 B:Gnq901 | 1.32 | | F | O1 B:Gnq901 | 2.27 | | F | C2 B:Gnq901 | 2.96 | | F | C5 B:Gnq901 | 4.19 | | F | C4 B:Gnq901 | 4.46 | | F | F3 B:Gnq901 | 2.15 | | F | F1 B:Gnq901 | 2.14 | | F | F2 B:Gnq901 | 0.00 | | F | C3 B:Gnq901 | 3.17 | | F | O B:Hoh983 | 4.37 | | F | O B:Hoh1023 | 2.33 |
| interactive model:
| Fluorine binding site 3 out of 3 in 2hhn
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 2hhn. 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: B: Gly20, B: Trp186, B: Gnq901, B: Hoh983, B: Hoh1023, B: Hoh1151, | conact list:
| Atom | Atom | Distance (A) | | F | O B:Gly20 | 4.21 | | F | CD1 B:Trp186 | 4.25 | | F | CD2 B:Trp186 | 4.30 | | F | CE3 B:Trp186 | 4.93 | | F | CG B:Trp186 | 4.31 | | F | CZ2 B:Trp186 | 4.80 | | F | CE2 B:Trp186 | 4.23 | | F | NE1 B:Trp186 | 4.20 | | F | C1 B:Gnq901 | 1.33 | | F | O1 B:Gnq901 | 2.27 | | F | C2 B:Gnq901 | 3.62 | | F | C5 B:Gnq901 | 4.57 | | F | F3 B:Gnq901 | 0.00 | | F | F1 B:Gnq901 | 2.14 | | F | F2 B:Gnq901 | 2.15 | | F | C3 B:Gnq901 | 4.43 | | F | O B:Hoh983 | 3.87 | | F | O B:Hoh1023 | 4.33 | | F | O B:Hoh1151 | 4.89 |
| interactive model:
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