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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6v1m:

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

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

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 6v1m

Go back to Fluorine Binding Sites List in 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

Reference:

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
Page generated: Sun Dec 13 13:19:13 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy