Fluorine in PDB 4plb: Crystal Structure of S.A. Gyrase-AM8191 Complex

All present enzymatic activity of Crystal Structure of S.A. Gyrase-AM8191 Complex:
5.99.1.3;

The structure of Crystal Structure of S.A. Gyrase-AM8191 Complex, PDB code: 4plb was solved by J.Lu, S.Patel, S.Soisson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.12 / 2.69
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	93.310, 93.310, 410.197, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 22

The structure of Crystal Structure of S.A. Gyrase-AM8191 Complex also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of S.A. Gyrase-AM8191 Complex (pdb code 4plb). 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 S.A. Gyrase-AM8191 Complex, PDB code: 4plb:

Fluorine binding site 1 out of 1 in the Crystal Structure of S.A. Gyrase-AM8191 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 S.A. Gyrase-AM8191 Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:49.2 occ:1.00 F F:31N101 0.0 49.2 1.0 C7 F:31N101 1.4 48.5 1.0 C6 F:31N101 2.4 45.4 1.0 C8 F:31N101 2.4 49.7 1.0 O27 F:31N101 2.7 66.1 1.0 C9 F:31N101 2.9 56.5 1.0 C4 F:DG10 3.1 45.6 1.0 C5 F:DG10 3.2 45.0 1.0 N9 F:DG10 3.3 46.2 1.0 C2' F:DG10 3.4 48.3 1.0 C10 F:31N101 3.4 62.5 1.0 N7 F:DG10 3.4 44.6 1.0 C8 F:DG10 3.5 44.8 1.0 C5 F:DC11 3.6 39.9 1.0 N5 F:31N101 3.6 44.4 1.0 N3 F:DG10 3.6 45.0 1.0 C3 F:31N101 3.7 46.2 1.0 C6 F:DG10 3.8 45.2 1.0 C6 F:DC11 3.8 40.8 1.0 C1' F:DG10 3.9 48.2 1.0 C2 F:31N101 4.1 42.9 1.0 C2 F:DG10 4.1 44.3 1.0 N1 F:DG10 4.1 44.8 1.0 C4 F:DC11 4.1 39.8 1.0 O6 F:DG10 4.5 45.7 1.0 N1 F:DC11 4.5 41.9 1.0 N4 F:DC11 4.5 38.9 1.0 C12 F:31N101 4.6 66.1 1.0 C11 F:31N101 4.6 64.7 1.0 C3' F:DG10 4.8 48.2 1.0 N3 F:DC11 4.8 40.3 1.0 N F:31N101 4.8 47.0 1.0 O4' F:DC11 4.9 45.2 1.0 C2 F:DC11 5.0 40.9 1.0 C5' F:DC11 5.0 48.8 1.0

S.B.Singh, D.E.Kaelin, J.Wu, L.Miesel, C.M.Tan, P.T.Meinke, D.Olsen, A.Lagrutta, P.Bradley, J.Lu, S.Patel, K.W.Rickert, R.F.Smith, S.Soisson, C.Wei, H.Fukuda, R.Kishii, M.Takei, Y.Fukuda. Oxabicyclooctane-Linked Novel Bacterial Topoisomerase Inhibitors As Broad Spectrum Antibacterial Agents. Acs Med.Chem.Lett. V. 5 609 2014.
ISSN: ISSN 1948-5875
PubMed: 24900889
DOI: 10.1021/ML500069W