Fluorine in PDB 3f3c: Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium

The structure of Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium, PDB code: 3f3c was solved by S.K.Singh, C.L.Piscitelli, A.Yamashita, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.120, 86.322, 81.579, 90.00, 95.19, 90.00
R / Rfree (%)	19.6 / 23.7

The structure of Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium (pdb code 3f3c). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium, PDB code: 3f3c:

Fluorine binding site 1 out of 1 in the Crystal Structure of Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium


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 Leut Bound to 4-Fluoro-L-Phenylalanine and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:36.0 occ:1.00 F A:PFF601 0.0 36.0 1.0 CZ A:PFF601 1.3 33.7 1.0 CE1 A:PFF601 2.4 33.3 1.0 CE2 A:PFF601 2.4 31.6 1.0 CB A:ALA261 2.8 27.2 1.0 CG2 A:ILE359 3.4 27.5 0.3 CA A:ILE359 3.5 26.4 0.3 CA A:ILE359 3.5 26.8 0.3 CA A:ILE359 3.5 27.1 0.3 CG1 A:ILE359 3.6 25.2 0.3 OD1 A:ASN21 3.6 31.6 1.0 CD1 A:PFF601 3.6 32.2 1.0 CD2 A:PFF601 3.6 31.9 1.0 CB A:ILE359 3.7 25.9 0.3 N A:ILE359 3.7 26.6 1.0 CB A:ILE359 3.8 26.8 0.3 C A:ALA358 3.9 26.7 1.0 CG1 A:ILE359 3.9 26.7 0.3 CB A:ILE359 3.9 27.6 0.3 O A:ALA358 4.0 28.6 1.0 CD1 A:ILE359 4.0 24.9 0.3 CG A:PFF601 4.1 30.7 1.0 CB A:ALA358 4.2 23.8 1.0 CA A:ALA261 4.3 28.3 1.0 CB A:PHE259 4.4 25.3 1.0 CG A:ASN21 4.4 31.2 1.0 CB A:SER256 4.5 28.5 1.0 OG A:SER256 4.5 32.6 1.0 ND2 A:ASN21 4.5 28.9 1.0 O A:SER355 4.6 27.2 1.0 CA A:ALA358 4.7 25.7 1.0 CG A:PHE259 4.8 23.9 1.0 CD1 A:ILE359 4.8 27.8 0.3 C A:ILE359 4.9 26.3 1.0 C A:ALA261 4.9 26.7 1.0 N A:ALA261 5.0 27.7 1.0

S.K.Singh, C.L.Piscitelli, A.Yamashita, E.Gouaux. A Competitive Inhibitor Traps Leut in An Open-to-Out Conformation. Science V. 322 1655 2008.
ISSN: ISSN 0036-8075
PubMed: 19074341
DOI: 10.1126/SCIENCE.1166777