Fluorine in PDB 4u5c: Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex

The structure of Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex, PDB code: 4u5c was solved by L.Chen, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 3.69
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	163.070, 364.780, 109.750, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.4

The binding sites of Fluorine atom in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex (pdb code 4u5c). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex, PDB code: 4u5c:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.7 occ:1.00 F5 A:FWD902 0.0 0.7 1.0 C5 A:FWD902 1.3 0.2 1.0 C6 A:FWD902 2.4 69.6 1.0 C4 A:FWD902 2.5 0.8 1.0 O4 A:FWD902 2.8 0.0 1.0 CE A:MET708 3.1 0.6 1.0 OG1 A:THR686 3.1 0.3 1.0 OE1 A:GLU402 3.4 0.3 1.0 N1 A:FWD902 3.6 0.3 1.0 N3 A:FWD902 3.7 0.2 1.0 OH A:TYR450 3.7 93.3 1.0 CD A:GLU402 4.0 0.4 1.0 C2 A:FWD902 4.1 0.1 1.0 SD A:MET708 4.3 0.1 1.0 CZ A:TYR450 4.3 75.5 1.0 OE2 A:GLU402 4.4 0.3 1.0 CE1 A:TYR450 4.5 74.9 1.0 OE1 A:GLU705 4.5 0.0 1.0 CB A:THR686 4.5 0.1 1.0 CG A:MET708 4.5 77.9 1.0 CD2 A:LEU650 4.7 99.5 1.0 C7 A:FWD902 4.8 0.0 1.0 CG A:GLU402 4.9 0.8 1.0 CG2 A:THR686 4.9 0.2 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:0.2 occ:1.00 F5 B:FWD902 0.0 0.2 1.0 C5 B:FWD902 1.3 0.4 1.0 C6 B:FWD902 2.4 91.4 1.0 C4 B:FWD902 2.5 0.5 1.0 O4 B:FWD902 2.8 0.9 1.0 OG1 B:THR686 3.3 0.4 1.0 CE B:MET708 3.4 0.1 1.0 OH B:TYR450 3.6 0.1 1.0 N1 B:FWD902 3.6 0.2 1.0 OE1 B:GLU402 3.6 0.9 1.0 N3 B:FWD902 3.7 0.5 1.0 OE1 B:GLU705 3.9 0.6 1.0 CD B:GLU402 4.1 0.5 1.0 C2 B:FWD902 4.1 0.6 1.0 CG B:MET708 4.2 77.9 1.0 SD B:MET708 4.2 0.8 1.0 CZ B:TYR450 4.4 86.7 1.0 OE2 B:GLU402 4.5 0.7 1.0 CD B:GLU705 4.6 0.3 1.0 CB B:THR686 4.7 0.2 1.0 CE1 B:TYR450 4.7 82.2 1.0 CG B:GLU402 4.8 0.8 1.0 C7 B:FWD902 4.8 0.3 1.0 CD2 B:LEU650 4.9 99.0 1.0 CB B:MET708 4.9 92.0 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F902 b:0.6 occ:1.00 F5 C:FWD902 0.0 0.6 1.0 C5 C:FWD902 1.3 0.9 1.0 C6 C:FWD902 2.4 74.2 1.0 C4 C:FWD902 2.5 0.7 1.0 O4 C:FWD902 2.8 0.6 1.0 OE2 C:GLU402 3.2 0.7 1.0 CE C:MET708 3.2 0.9 1.0 OG1 C:THR686 3.5 1.0 1.0 N1 C:FWD902 3.6 97.9 1.0 N3 C:FWD902 3.7 0.3 1.0 SD C:MET708 3.9 0.0 1.0 CG C:MET708 3.9 96.0 1.0 OE1 C:GLU705 3.9 0.2 1.0 CD C:GLU402 4.0 0.6 1.0 C2 C:FWD902 4.1 0.3 1.0 OE1 C:GLU402 4.2 0.1 1.0 OH C:TYR450 4.2 0.7 1.0 CD C:GLU705 4.5 94.3 1.0 CB C:MET708 4.6 0.9 1.0 CB C:GLU705 4.6 0.8 1.0 CG C:GLU705 4.7 0.4 1.0 CZ C:TYR450 4.8 99.6 1.0 C7 C:FWD902 4.8 0.2 1.0 CB C:THR686 4.9 0.8 1.0 N C:GLU705 4.9 0.7 1.0 CD2 C:LEU650 5.0 0.0 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of GLUA2, Con-Ikot-Ikot Snail Toxin, Partial Agonist Fw and Postitive Modulator (R,R)-2B Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F902 b:74.9 occ:1.00 F5 D:FWD902 0.0 74.9 1.0 C5 D:FWD902 1.3 78.8 1.0 C6 D:FWD902 2.4 73.3 1.0 C4 D:FWD902 2.5 97.6 1.0 O4 D:FWD902 2.8 94.4 1.0 OG1 D:THR686 3.4 93.3 1.0 CE D:MET708 3.5 0.8 1.0 CG D:MET708 3.5 59.6 1.0 N1 D:FWD902 3.6 40.6 1.0 N3 D:FWD902 3.7 0.5 1.0 OE1 D:GLU705 3.9 86.7 1.0 OE2 D:GLU402 3.9 0.3 1.0 C2 D:FWD902 4.1 92.7 1.0 OH D:TYR450 4.1 85.5 1.0 SD D:MET708 4.2 0.6 1.0 CB D:MET708 4.4 87.3 1.0 CD D:GLU402 4.5 0.0 1.0 CD D:GLU705 4.6 82.1 1.0 CB D:GLU705 4.7 96.0 1.0 CB D:THR686 4.8 96.8 1.0 CG D:GLU705 4.8 0.5 1.0 C7 D:FWD902 4.8 69.3 1.0 CZ D:TYR450 5.0 66.7 1.0 OE1 D:GLU402 5.0 0.8 1.0 N D:GLU705 5.0 92.1 1.0

L.Chen, K.L.Durr, E.Gouaux. X-Ray Structures of Ampa Receptor-Cone Snail Toxin Complexes Illuminate Activation Mechanism. Science V. 345 1021 2014.
ISSN: ESSN 1095-9203
PubMed: 25103405
DOI: 10.1126/SCIENCE.1258409