Fluorine in PDB 5ywi: Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc:
1.13.11.27;

The structure of Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc, PDB code: 5ywi was solved by W.C.Yang, J.N.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 2.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.601, 83.568, 64.150, 90.00, 102.22, 90.00
R / Rfree (%)	25.4 / 28.7

The structure of Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc (pdb code 5ywi). 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 Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc, PDB code: 5ywi:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc


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 Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:92.0 occ:1.00 F2 A:NTD502 0.0 92.0 1.0 C14 A:NTD502 1.4 87.9 1.0 F1 A:NTD502 2.2 86.0 1.0 F3 A:NTD502 2.2 85.6 1.0 C11 A:NTD502 2.4 90.0 1.0 C12 A:NTD502 2.8 90.5 1.0 CB A:ASN423 3.3 89.3 1.0 C A:ASN423 3.5 94.3 1.0 N A:PHE424 3.5 93.5 1.0 C10 A:NTD502 3.6 89.6 1.0 CD1 A:LEU427 3.7 92.5 1.0 O A:ASN423 3.8 98.1 1.0 CD1 A:PHE424 3.8 96.7 1.0 CG A:PHE424 3.9 95.1 1.0 CE1 A:PHE424 3.9 93.1 1.0 CA A:PHE424 3.9 96.4 1.0 CA A:ASN423 3.9 89.8 1.0 CD2 A:PHE424 4.1 90.7 1.0 C13 A:NTD502 4.1 86.3 1.0 CZ A:PHE424 4.1 94.3 1.0 O A:GLY420 4.2 86.7 1.0 CE2 A:PHE424 4.2 93.0 1.0 CB A:PHE424 4.5 97.7 1.0 CG A:ASN423 4.6 93.0 1.0 CG A:LEU427 4.6 97.5 1.0 N A:ASN423 4.7 94.1 1.0 C9 A:NTD502 4.7 88.7 1.0 CD1 A:LEU368 4.8 84.1 1.0 ND2 A:ASN423 4.8 91.3 1.0 C8 A:NTD502 4.9 86.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc


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 Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:85.6 occ:1.00 F3 A:NTD502 0.0 85.6 1.0 C14 A:NTD502 1.4 87.9 1.0 F2 A:NTD502 2.2 92.0 1.0 F1 A:NTD502 2.2 86.0 1.0 C11 A:NTD502 2.4 90.0 1.0 C10 A:NTD502 3.2 89.6 1.0 C12 A:NTD502 3.2 90.5 1.0 CD1 A:LEU368 3.4 84.1 1.0 CD1 A:LEU427 3.5 92.5 1.0 CE2 A:PHE381 3.7 82.4 1.0 CD2 A:PHE381 4.1 81.9 1.0 C13 A:NTD502 4.4 86.3 1.0 C9 A:NTD502 4.4 88.7 1.0 CZ A:PHE381 4.4 84.5 1.0 CB A:ASN423 4.5 89.3 1.0 CG A:LEU427 4.8 97.5 1.0 CG A:LEU368 4.9 87.5 1.0 C8 A:NTD502 4.9 86.3 1.0 OE1 A:GLN379 5.0 87.7 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc


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 Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:86.0 occ:1.00 F1 A:NTD502 0.0 86.0 1.0 C14 A:NTD502 1.4 87.9 1.0 F2 A:NTD502 2.2 92.0 1.0 F3 A:NTD502 2.2 85.6 1.0 C11 A:NTD502 2.4 90.0 1.0 C10 A:NTD502 2.7 89.6 1.0 CE1 A:PHE424 3.3 93.1 1.0 CD1 A:PHE424 3.6 96.7 1.0 C12 A:NTD502 3.6 90.5 1.0 CZ A:PHE424 3.9 94.3 1.0 CD1 A:LEU427 4.0 92.5 1.0 C9 A:NTD502 4.1 88.7 1.0 CG A:PHE424 4.4 95.1 1.0 CE2 A:PHE424 4.7 93.0 1.0 C13 A:NTD502 4.7 86.3 1.0 CD2 A:PHE424 4.9 90.7 1.0 C8 A:NTD502 4.9 86.3 1.0 N A:NTD502 5.0 89.9 1.0

W.C.Yang, J.N.Chen. Crystal Structure of Arabidopsis Thaliana Hppd Truncated Mutant Complexed with Ntbc To Be Published.