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Fluorine in PDB 5jmx: Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305

Enzymatic activity of Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305

All present enzymatic activity of Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305, PDB code: 5jmx was solved by D.Stepanovs, M.A.Mcdonough, C.J.Schofield, D.Zhang, J.Brem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.95 / 1.44
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 53.250, 61.240, 69.050, 90.00, 93.09, 90.00
R / Rfree (%) 14.6 / 18.6

Other elements in 5jmx:

The structure of Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305 (pdb code 5jmx). 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 Bcii Metallo-Beta-Lactamase in Complex with Dz- 305, PDB code: 5jmx:

Fluorine binding site 1 out of 1 in 5jmx

Go back to Fluorine Binding Sites List in 5jmx
Fluorine binding site 1 out of 1 in the Crystal Structure of Bcii Metallo-Beta-Lactamase in Complex with Dz- 305


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 Bcii Metallo-Beta-Lactamase in Complex with Dz- 305 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:36.2
occ:1.00
 F10 A:DZ5304 0.0 36.2 1.0
C09 A:DZ5304 1.4 36.1 1.0
C11 A:DZ5304 2.3 36.0 1.0
C08 A:DZ5304 2.4 36.1 1.0
NE2 A:HIS118 3.6 23.2 1.0
C12 A:DZ5304 3.6 35.9 1.0
C07 A:DZ5304 3.6 36.0 1.0
OD2 A:ASP213 3.7 28.2 1.0
CD2 A:HIS118 3.8 20.3 1.0
O A:HOH499 4.0 37.4 1.0
C06 A:DZ5304 4.2 35.8 1.0
CE1 A:HIS118 4.3 21.7 1.0
CG A:HIS118 4.5 20.2 1.0
CG A:ASP213 4.7 26.8 1.0
ND1 A:HIS118 4.7 20.2 1.0

Reference:

D.Zhang, M.S.Markoulides, D.Stepanovs, A.M.Rydzik, A.El-Hussein, C.Bon, J.J.A.G.Kamps, K.D.Umland, P.M.Collins, S.T.Cahill, D.Y.Wang, F.Von Delft, J.Brem, M.A.Mcdonough, C.J.Schofield. Structure Activity Relationship Studies on Rhodanines and Derived Enethiol Inhibitors of Metallo-Beta-Lactamases. Bioorg. Med. Chem. V. 26 2928 2018.
ISSN: ESSN 1464-3391
PubMed: 29655609
DOI: 10.1016/J.BMC.2018.02.043
Page generated: Thu Aug 1 10:36:09 2024

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