The binding sites of Fluorine atom in the structure of Crystal Structure Of The Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex With A Pyrrolopyridinepyridone Based Inhibitor (pdb code 3ce3). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 3ce3 structure was solved by J.SACK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 50.0-2.4 | | Space group | P212121 | | a (A) | 43.040 | | b (A) | 49.137 | | c (A) | 159.324 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 20.6 | | Rfree (%) | 27.5 |
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Fluorine binding site 1 out of 2 in 3ce3
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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 3ce3. 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: Val1092, A: Ala1108, A: Lys1110, A: Leu1157, A: Phe1223, A: 1fn1401, | conact list:
| Atom | Atom | Distance (A) | | F | CB A:Val1092 | 4.84 | | F | CG1 A:Val1092 | 3.44 | | F | CB A:Ala1108 | 4.37 | | F | CB A:Lys1110 | 4.66 | | F | CE A:Lys1110 | 4.11 | | F | CD A:Lys1110 | 3.76 | | F | CG A:Lys1110 | 3.50 | | F | CD1 A:Leu1157 | 3.93 | | F | CE1 A:Phe1223 | 4.97 | | F | C11 A:1fn1401 | 3.73 | | F | C1 A:1fn1401 | 4.72 | | F | C8 A:1fn1401 | 2.36 | | F | C6 A:1fn1401 | 3.51 | | F | C5 A:1fn1401 | 3.81 | | F | C13 A:1fn1401 | 1.39 | | F | C10 A:1fn1401 | 4.24 | | F | O7 A:1fn1401 | 2.66 | | F | C9 A:1fn1401 | 3.68 | | F | C12 A:1fn1401 | 2.50 | | F | F14 A:1fn1401 | 0.00 | | F | N15 A:1fn1401 | 4.88 |
| interactive model:
| Fluorine binding site 2 out of 2 in 3ce3
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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 3ce3. 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: Phe1134, A: Val1139, A: Leu1195, A: Phe1200, A: His1202, A: Val1220, A: Ala1221, A: 1fn1401, | conact list:
| Atom | Atom | Distance (A) | | F | CE2 A:Phe1134 | 4.14 | | F | CD2 A:Phe1134 | 4.44 | | F | CG1 A:Val1139 | 4.08 | | F | CD1 A:Leu1195 | 3.66 | | F | CD2 A:Leu1195 | 4.36 | | F | CG A:Leu1195 | 4.66 | | F | CE2 A:Phe1200 | 4.32 | | F | CZ A:Phe1200 | 4.99 | | F | NE2 A:His1202 | 4.27 | | F | CD2 A:His1202 | 3.90 | | F | CG A:His1202 | 4.93 | | F | O A:Val1220 | 3.95 | | F | CB A:Val1220 | 4.70 | | F | C A:Val1220 | 4.33 | | F | CG1 A:Val1220 | 3.63 | | F | O A:Ala1221 | 4.87 | | F | N A:Ala1221 | 4.52 | | F | C A:Ala1221 | 4.73 | | F | CA A:Ala1221 | 4.36 | | F | C31 A:1fn1401 | 2.18 | | F | C32 A:1fn1401 | 1.24 | | F | F35 A:1fn1401 | 0.00 | | F | C34 A:1fn1401 | 3.61 | | F | C33 A:1fn1401 | 2.35 | | F | C30 A:1fn1401 | 3.46 | | F | C26 A:1fn1401 | 4.02 |
| interactive model:
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