Fluorine in PDB 6v1m: Structure of Ndm-1 Bound to QPX7728 at 1.05 A

All present enzymatic activity of Structure of Ndm-1 Bound to QPX7728 at 1.05 A:
3.5.2.6;

The structure of Structure of Ndm-1 Bound to QPX7728 at 1.05 A, PDB code: 6v1m was solved by O.A.Pemberton, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.26 / 1.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.400, 60.240, 42.060, 90.00, 98.46, 90.00
R / Rfree (%)	14.1 / 15.8

The structure of Structure of Ndm-1 Bound to QPX7728 at 1.05 A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Structure of Ndm-1 Bound to QPX7728 at 1.05 A (pdb code 6v1m). 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 Structure of Ndm-1 Bound to QPX7728 at 1.05 A, PDB code: 6v1m:

Fluorine binding site 1 out of 1 in the Structure of Ndm-1 Bound to QPX7728 at 1.05 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Ndm-1 Bound to QPX7728 at 1.05 A within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:17.7 occ:1.00 F06 A:QNA303 0.0 17.7 1.0 C05 A:QNA303 1.4 15.5 1.0 C07 A:QNA303 2.4 15.2 1.0 C04 A:QNA303 2.4 13.3 1.0 O03 A:QNA303 2.7 14.1 1.0 C02 A:QNA303 2.8 12.7 1.0 N A:ASN220 3.1 16.2 1.0 CA A:GLY219 3.2 17.3 1.0 O A:HOH582 3.2 37.8 1.0 O A:HOH685 3.4 43.7 1.0 C A:GLY219 3.6 16.9 1.0 C08 A:QNA303 3.7 14.3 1.0 C10 A:QNA303 3.7 12.1 1.0 O A:HOH601 3.8 46.7 1.0 O01 A:QNA303 4.0 11.2 1.0 CB A:ASN220 4.1 17.3 1.0 CA A:ASN220 4.1 16.1 1.0 C09 A:QNA303 4.2 12.8 1.0 N A:GLY219 4.6 17.1 1.0 CD2 A:HIS250 4.6 10.2 1.0 O A:GLY219 4.7 18.2 1.0 O11 A:QNA303 4.7 11.2 1.0 NZ A:LYS211 4.8 17.0 1.0 O A:HOH541 5.0 47.2 1.0

S.J.Hecker, K.R.Reddy, O.Lomovskaya, D.C.Griffith, D.Rubio-Aparicio, K.Nelson, R.Tsivkovski, D.Sun, M.Sabet, Z.Tarazi, J.Parkinson, M.Totrov, S.H.Boyer, T.W.Glinka, O.A.Pemberton, Y.Chen, M.N.Dudley. Discovery of Cyclic Boronic Acid QPX7728, An Ultra-Broad-Spectrum Inhibitor of Serine and Metallo Beta-Lactamases. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32150407
DOI: 10.1021/ACS.JMEDCHEM.9B01976