Fluorine in PDB 1vzc: L. Casei Thymidylate Synthase Mutant E60Q Binary Complex with Fdump

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

The structure of L. Casei Thymidylate Synthase Mutant E60Q Binary Complex with Fdump, PDB code: 1vzc 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 (°)	79.500, 79.500, 229.100, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / n/a

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

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


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 Binary Complex with Fdump 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 26.3 1.0 H2 A:HOH320 2.0 15.0 1.0 C6 A:UFP317 2.3 25.8 1.0 C4 A:UFP317 2.4 25.1 1.0 H1 A:HOH359 2.5 15.0 1.0 O4 A:UFP317 2.9 23.3 1.0 O A:HOH320 2.9 2.0 1.0 O A:HOH359 3.2 52.2 1.0 H1 A:HOH331 3.3 15.0 1.0 CD1 A:LEU195 3.3 19.8 1.0 H1 A:HOH320 3.4 15.0 1.0 N1 A:UFP317 3.6 26.7 1.0 N3 A:UFP317 3.7 24.7 1.0 O A:HOH331 3.7 27.7 1.0 CG A:LEU195 3.8 20.6 1.0 H2 A:HOH359 3.9 15.0 1.0 C2 A:UFP317 4.2 24.7 1.0 H2 A:HOH331 4.3 15.0 1.0 CD2 A:LEU195 4.3 18.2 1.0 SG A:CYS198 4.3 13.0 1.0 HN3 A:UFP317 4.5 15.0 1.0 H1 A:HOH322 4.5 15.0 1.0 H A:CYS198 4.6 15.0 1.0 CB A:CYS198 4.6 9.8 1.0 C1' A:UFP317 4.7 26.8 1.0 O A:HOH322 4.7 25.9 1.0 O4' A:UFP317 4.9 28.2 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