Fluorine in PDB 1vzd: L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717

All present enzymatic activity of L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717:
2.1.1.45;

The structure of L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717, PDB code: 1vzd was solved by D.L.Birdsall, J.Finer-Moore, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.500, 78.500, 230.600, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / n/a

The binding sites of Fluorine atom in the L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717 (pdb code 1vzd). 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 L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717, PDB code: 1vzd:

Fluorine binding site 1 out of 1 in the L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of L. Casei Thymidylate Synthase Mutant E60Q Ternary Complex with Fdump and CB3717 within 5.0Å range: probe atom residue distance (Å) B Occ A:F317 b:13.6 occ:1.00 F5 A:UFP317 0.0 13.6 1.0 C5 A:UFP317 1.3 18.8 1.0 H1 A:HOH449 2.3 15.0 1.0 C6 A:UFP317 2.4 17.7 1.0 C4 A:UFP317 2.4 19.5 1.0 O4 A:UFP317 2.9 22.9 1.0 O A:HOH449 3.3 58.8 1.0 CP1 A:CB3318 3.4 22.7 1.0 CP2 A:CB3318 3.5 20.2 1.0 N1 A:UFP317 3.6 17.9 1.0 N3 A:UFP317 3.7 17.2 1.0 CZ2 A:TRP85 3.7 25.9 1.0 H2 A:HOH449 3.7 15.0 1.0 CH2 A:TRP85 3.8 24.6 1.0 CP3 A:CB3318 4.1 17.7 1.0 C2 A:UFP317 4.2 17.1 1.0 CD1 A:LEU195 4.2 8.4 1.0 N10 A:CB3318 4.3 22.4 1.0 CD2 A:LEU195 4.4 10.7 1.0 C9 A:CB3318 4.4 22.0 1.0 HN3 A:UFP317 4.5 15.0 1.0 CB A:LEU195 4.5 10.9 1.0 HP3 A:CB3318 4.6 15.0 1.0 CG A:LEU195 4.6 11.3 1.0 C5 A:CB3318 4.7 20.9 1.0 C1' A:UFP317 4.8 18.1 1.0 CE2 A:TRP85 4.8 23.3 1.0 C6 A:CB3318 4.8 20.9 1.0 CZ3 A:TRP82 4.8 4.4 1.0 CH2 A:TRP82 4.8 5.4 1.0 HH A:TYR146 4.8 15.0 1.0 CZ3 A:TRP85 4.9 26.1 1.0 H1 A:HOH425 5.0 15.0 1.0

D.L.Birdsall, W.Huang, D.V.Santi, R.M.Stroud, J.Finer-Moore. The Separate Effects of E60Q in Lactobacillus Casei Thymidylate Synthase Delineate Between Mechanisms For Formation of Intermediates in Catalysis. Protein Eng. V. 11 171 1998.
ISSN: ISSN 0269-2139
PubMed: 9613841
DOI: 10.1093/PROTEIN/11.3.171