Fluorine in PDB 8x5c: Complex Structure of Athppd with YH20540

All present enzymatic activity of Complex Structure of Athppd with YH20540:
1.13.11.27;

The structure of Complex Structure of Athppd with YH20540, PDB code: 8x5c was solved by G.-F.Yang, H.-Y.Lin, J.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.395, 84.185, 63.193, 90, 100.89, 90
R / Rfree (%)	21.1 / 24.5

The structure of Complex Structure of Athppd with YH20540 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Complex Structure of Athppd with YH20540 (pdb code 8x5c). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Complex Structure of Athppd with YH20540, PDB code: 8x5c:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Complex Structure of Athppd with YH20540


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex Structure of Athppd with YH20540 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:62.3 occ:1.00 F24 A:YCZ502 0.0 62.3 1.0 C23 A:YCZ502 1.4 59.5 1.0 F25 A:YCZ502 2.2 60.6 1.0 F26 A:YCZ502 2.2 58.8 1.0 C04 A:YCZ502 2.3 59.4 1.0 C03 A:YCZ502 2.6 56.8 1.0 CB A:ASN423 3.4 57.3 1.0 O A:ASN423 3.5 66.5 1.0 CD1 A:LEU368 3.6 52.2 1.0 C A:ASN423 3.6 65.9 1.0 N05 A:YCZ502 3.8 58.6 1.0 N A:PHE424 4.0 65.6 1.0 CD1 A:LEU427 4.0 67.8 1.0 C02 A:YCZ502 4.1 55.0 1.0 CA A:ASN423 4.1 62.8 1.0 CE1 A:PHE381 4.4 46.8 1.0 CG A:LEU427 4.4 70.3 1.0 OE1 A:GLN379 4.5 46.9 1.0 CG A:ASN423 4.5 58.9 1.0 O A:GLY420 4.5 57.7 1.0 CA A:PHE424 4.5 68.6 1.0 C16 A:YCZ502 4.6 57.7 1.0 S19 A:YCZ502 4.7 59.2 1.0 CG A:PHE424 4.8 66.3 1.0 C06 A:YCZ502 4.9 54.2 1.0 CD2 A:PHE424 4.9 67.3 1.0 CD1 A:PHE424 4.9 63.1 1.0 ND2 A:ASN423 4.9 56.6 1.0 C01 A:YCZ502 5.0 52.9 1.0 CZ A:PHE381 5.0 46.2 1.0 CG A:LEU368 5.0 55.2 1.0

Fluorine binding site 2 out of 3 in the Complex Structure of Athppd with YH20540


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex Structure of Athppd with YH20540 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:60.6 occ:1.00 F25 A:YCZ502 0.0 60.6 1.0 C23 A:YCZ502 1.4 59.5 1.0 F24 A:YCZ502 2.2 62.3 1.0 F26 A:YCZ502 2.2 58.8 1.0 C04 A:YCZ502 2.4 59.4 1.0 S19 A:YCZ502 2.9 59.2 1.0 N05 A:YCZ502 3.1 58.6 1.0 C16 A:YCZ502 3.3 57.7 1.0 CE1 A:PHE381 3.4 46.8 1.0 C03 A:YCZ502 3.5 56.8 1.0 CD1 A:LEU368 3.7 52.2 1.0 CD1 A:PHE381 3.8 44.8 1.0 CD1 A:LEU427 4.0 67.8 1.0 CZ A:PHE381 4.2 46.2 1.0 C06 A:YCZ502 4.4 54.2 1.0 C20 A:YCZ502 4.6 58.5 1.0 N17 A:YCZ502 4.6 56.0 1.0 CG A:PHE381 4.7 39.8 1.0 C02 A:YCZ502 4.7 55.0 1.0 C21 A:YCZ502 4.8 58.5 1.0 CG A:LEU427 5.0 70.3 1.0

Fluorine binding site 3 out of 3 in the Complex Structure of Athppd with YH20540


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex Structure of Athppd with YH20540 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:58.8 occ:1.00 F26 A:YCZ502 0.0 58.8 1.0 C23 A:YCZ502 1.4 59.5 1.0 F25 A:YCZ502 2.2 60.6 1.0 F24 A:YCZ502 2.2 62.3 1.0 C04 A:YCZ502 2.4 59.4 1.0 S19 A:YCZ502 3.1 59.2 1.0 N05 A:YCZ502 3.2 58.6 1.0 CD2 A:PHE424 3.4 67.3 1.0 CE2 A:PHE424 3.4 65.2 1.0 C16 A:YCZ502 3.5 57.7 1.0 C03 A:YCZ502 3.5 56.8 1.0 CG A:PHE424 3.9 66.3 1.0 CZ A:PHE424 3.9 61.0 1.0 CD1 A:LEU427 3.9 67.8 1.0 CA A:PHE424 4.2 68.6 1.0 CD1 A:PHE424 4.3 63.1 1.0 CE1 A:PHE424 4.3 61.5 1.0 O A:ASN423 4.4 66.5 1.0 C06 A:YCZ502 4.4 54.2 1.0 N A:PHE424 4.4 65.6 1.0 C A:ASN423 4.6 65.9 1.0 CB A:PHE424 4.6 67.4 1.0 C02 A:YCZ502 4.7 55.0 1.0 N17 A:YCZ502 4.7 56.0 1.0 CG A:LEU427 4.8 70.3 1.0 C20 A:YCZ502 4.9 58.5 1.0

G.-F.Yang, H.-Y.Lin, J.Dong. Complex Structure of Athppd with YH20540 To Be Published.