The binding sites of Fluorine atom in the structure of Suicide Inhibition Of A-Oxamine Synthase: Structures Of the Covalent Adducts of 8-Amino-7-Oxonanoate Synthase With Trifluoroalanine (pdb code 2g6w). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 2g6w structure was solved by D.ALEXEEV, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 21.4-2.1 | | Space group | P3112 | | a (A) | 58.670 | | b (A) | 58.670 | | c (A) | 198.970 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 120.00 | | Rfactor (%) | 17.6 | | Rfree (%) | 24.6 |
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Fluorine binding site 1 out of 2 in 2g6w
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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 2g6w. 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: Asn47, A: Lys236, A: Llf436, A: Hoh633, | conact list:
| Atom | Atom | Distance (A) | | F | CB A:Asn47 | 4.65 | | F | ND2 A:Asn47 | 2.72 | | F | OD1 A:Asn47 | 4.79 | | F | CG A:Asn47 | 3.93 | | F | CE A:Lys236 | 3.86 | | F | CD A:Lys236 | 4.90 | | F | CG A:Lys236 | 4.93 | | F | NZ A:Lys236 | 2.43 | | F | CBF A:Llf436 | 1.44 | | F | F2 A:Llf436 | 2.36 | | F | C4A A:Llf436 | 4.25 | | F | CAF A:Llf436 | 2.32 | | F | NF A:Llf436 | 3.57 | | F | OP3 A:Llf436 | 4.87 | | F | F1 A:Llf436 | 0.00 | | F | O A:Hoh633 | 4.87 |
| interactive model:
| Fluorine binding site 2 out of 2 in 2g6w
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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 2g6w. 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: Asn47, A: Ser179, A: His207, A: Lys236, A: Arg361, A: Llf436, A: Hoh534, A: Hoh633, | conact list:
| Atom | Atom | Distance (A) | | F | CB A:Asn47 | 4.79 | | F | ND2 A:Asn47 | 2.48 | | F | OD1 A:Asn47 | 4.26 | | F | CG A:Asn47 | 3.71 | | F | OG A:Ser179 | 4.96 | | F | NE2 A:His207 | 3.91 | | F | ND1 A:His207 | 4.76 | | F | CE1 A:His207 | 3.54 | | F | CE A:Lys236 | 3.13 | | F | CD A:Lys236 | 4.44 | | F | CG A:Lys236 | 4.59 | | F | NZ A:Lys236 | 2.52 | | F | NH2 A:Arg361 | 4.91 | | F | CBF A:Llf436 | 1.47 | | F | F2 A:Llf436 | 0.00 | | F | O3 A:Llf436 | 3.61 | | F | C4A A:Llf436 | 3.80 | | F | C4 A:Llf436 | 4.73 | | F | CAF A:Llf436 | 2.46 | | F | C3 A:Llf436 | 4.66 | | F | NF A:Llf436 | 2.71 | | F | F1 A:Llf436 | 2.36 | | F | O A:Hoh534 | 3.88 | | F | O A:Hoh633 | 3.14 |
| interactive model:
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