Fluorine in PDB 8who: Crystal Structure of Athppd-YH20541 Complex

All present enzymatic activity of Crystal Structure of Athppd-YH20541 Complex:
1.13.11.27;

The structure of Crystal Structure of Athppd-YH20541 Complex, PDB code: 8who 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)	41.66 / 1.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.31, 83.328, 61.704, 90, 102.51, 90
R / Rfree (%)	19.5 / 23.8

The structure of Crystal Structure of Athppd-YH20541 Complex also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Athppd-YH20541 Complex (pdb code 8who). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Athppd-YH20541 Complex, PDB code: 8who:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Athppd-YH20541 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 Athppd-YH20541 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:55.7 occ:1.00 F24 A:WHO502 0.0 55.7 1.0 C23 A:WHO502 1.4 54.1 1.0 F26 A:WHO502 2.2 50.5 1.0 F25 A:WHO502 2.2 56.8 1.0 C04 A:WHO502 2.4 51.5 1.0 N05 A:WHO502 3.1 51.6 1.0 C18 A:WHO502 3.2 56.3 1.0 CE2 A:PHE424 3.3 59.1 1.0 CD2 A:PHE424 3.4 58.3 1.0 C07 A:WHO502 3.5 53.8 1.0 C03 A:WHO502 3.5 49.6 1.0 CZ A:PHE424 3.9 57.3 1.0 CD1 A:LEU427 3.9 63.5 1.0 CG A:PHE424 4.0 58.4 1.0 CA A:PHE424 4.4 63.5 1.0 CE1 A:PHE424 4.4 56.1 1.0 C06 A:WHO502 4.4 49.8 1.0 CD1 A:PHE424 4.4 56.7 1.0 S19 A:WHO502 4.5 66.6 1.0 N A:PHE424 4.6 59.4 1.0 C02 A:WHO502 4.7 46.7 1.0 N08 A:WHO502 4.8 50.8 1.0 CB A:PHE424 4.8 60.6 1.0 O A:ASN423 4.8 62.1 1.0 C A:ASN423 4.9 61.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Athppd-YH20541 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 Athppd-YH20541 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:56.8 occ:1.00 F25 A:WHO502 0.0 56.8 1.0 C23 A:WHO502 1.4 54.1 1.0 F26 A:WHO502 2.2 50.5 1.0 F24 A:WHO502 2.2 55.7 1.0 C04 A:WHO502 2.3 51.5 1.0 C03 A:WHO502 2.6 49.6 1.0 CD1 A:LEU427 3.3 63.5 1.0 CB A:ASN423 3.4 55.9 1.0 CD1 A:LEU368 3.6 45.2 1.0 N05 A:WHO502 3.8 51.6 1.0 C A:ASN423 3.8 61.1 1.0 O A:ASN423 3.9 62.1 1.0 C02 A:WHO502 4.0 46.7 1.0 N A:PHE424 4.1 59.4 1.0 CA A:ASN423 4.3 59.5 1.0 CE1 A:PHE381 4.4 43.7 1.0 OE1 A:GLN379 4.5 45.9 1.0 CG A:ASN423 4.5 52.0 1.0 CG A:LEU427 4.6 67.0 1.0 CA A:PHE424 4.6 63.5 1.0 O A:GLY420 4.6 51.7 1.0 C07 A:WHO502 4.7 53.8 1.0 C18 A:WHO502 4.8 56.3 1.0 CG A:PHE424 4.8 58.4 1.0 CD2 A:PHE424 4.9 58.3 1.0 C06 A:WHO502 4.9 49.8 1.0 CG A:LEU368 4.9 51.7 1.0 CD1 A:PHE424 4.9 56.7 1.0 ND2 A:ASN423 4.9 49.8 1.0 C01 A:WHO502 4.9 45.7 1.0 CE2 A:PHE424 5.0 59.1 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Athppd-YH20541 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 Athppd-YH20541 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:50.5 occ:1.00 F26 A:WHO502 0.0 50.5 1.0 C23 A:WHO502 1.4 54.1 1.0 F25 A:WHO502 2.2 56.8 1.0 F24 A:WHO502 2.2 55.7 1.0 C04 A:WHO502 2.3 51.5 1.0 N05 A:WHO502 3.1 51.6 1.0 C18 A:WHO502 3.2 56.3 1.0 C07 A:WHO502 3.4 53.8 1.0 C03 A:WHO502 3.5 49.6 1.0 CE1 A:PHE381 3.5 43.7 1.0 S19 A:WHO502 3.6 66.6 1.0 CD1 A:PHE381 3.7 41.6 1.0 CD1 A:LEU368 3.7 45.2 1.0 CD1 A:LEU427 3.8 63.5 1.0 CZ A:PHE381 4.3 38.5 1.0 C06 A:WHO502 4.4 49.8 1.0 C02 A:WHO502 4.7 46.7 1.0 CG A:PHE381 4.7 35.3 1.0 N08 A:WHO502 4.7 50.8 1.0

G.-F.Yang, H.-Y.Lin, J.Dong. Crystal Structure of Athppd-YH20541 Complex To Be Published.