Fluorine in PDB 2vtd: Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor:
6.3.2.9;

The structure of Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor, PDB code: 2vtd was solved by J.Humljan, M.Kotnik, C.Contreras-Martel, D.Blanot, U.Urleb, A.Dessen, T.Solmajer, S.Gobec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.88 / 1.94
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.260, 65.260, 134.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 22.7

The binding sites of Fluorine atom in the Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor (pdb code 2vtd). 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 Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor, PDB code: 2vtd:

Fluorine binding site 1 out of 1 in the Crystal Structure of Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor


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 Murd Ligase in Complex with D-Glu Containing Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1441 b:33.2 occ:1.00 F2 A:LKM1441 0.0 33.2 1.0 C25 A:LKM1441 1.3 37.6 1.0 C24 A:LKM1441 2.3 36.0 1.0 C26 A:LKM1441 2.4 35.3 1.0 C23 A:LKM1441 2.7 37.6 1.0 CG A:ARG37 3.4 31.6 1.0 CD A:ARG37 3.6 33.0 1.0 C29 A:LKM1441 3.6 36.0 1.0 C27 A:LKM1441 3.6 35.7 1.0 OG1 A:THR36 3.9 25.5 1.0 NE A:ARG37 3.9 32.8 1.0 O A:HOH2023 4.0 36.4 1.0 O22 A:LKM1441 4.0 38.2 1.0 C28 A:LKM1441 4.1 36.5 1.0 CZ A:ARG37 4.5 32.6 1.0 C30 A:LKM1441 4.7 34.0 1.0 NH1 A:ARG37 4.7 32.0 1.0 OD1 A:ASP35 4.9 26.4 1.0 CB A:ARG37 4.9 32.7 1.0 C20 A:LKM1441 5.0 35.7 1.0

J.Humljan, M.Kotnik, C.Contreras-Martel, D.Blanot, U.Urleb, A.Dessen, T.Solmajer, S.Gobec. Novel Naphthalene-N-Sulfonyl-D-Glutamic Acid Derivatives As Inhibitors of Murd, A Key Peptidoglycan Biosynthesis Enzyme. J. Med. Chem. V. 51 7486 2008.
ISSN: ISSN 1520-4804
PubMed: 19007109
DOI: 10.1021/JM800762U