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Fluorine in PDB 3cxc: The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui

Protein crystallography data

The structure of The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui, PDB code: 3cxc was solved by J.A.Ippolito, D.Wang, Z.F.Kanyo, E.M.Duffy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 213.660, 300.710, 575.370, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 3cxc:

The structure of The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui also contains other interesting chemical elements:

Magnesium (Mg) 117 atoms
Potassium (K) 2 atoms
Cadmium (Cd) 5 atoms
Chlorine (Cl) 22 atoms
Sodium (Na) 86 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui (pdb code 3cxc). 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 The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui, PDB code: 3cxc:

Fluorine binding site 1 out of 1 in 3cxc

Go back to Fluorine Binding Sites List in 3cxc
Fluorine binding site 1 out of 1 in the The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of An Enhanced Oxazolidinone Inhibitor Bound to the 50S Ribosomal Subunit of H. Marismortui within 5.0Å range:
probe atom residue distance (Å) B Occ
0:F9500

b:59.5
occ:1.00
F1 0:SLD9500 0.0 59.5 1.0
C11 0:SLD9500 1.4 54.1 1.0
C4 0:SLD9500 2.4 51.6 1.0
C12 0:SLD9500 2.6 53.2 1.0
C4' 0:U2541 2.9 43.0 1.0
C3B 0:SLD9500 3.0 50.7 1.0
C2B 0:SLD9500 3.2 52.3 1.0
C5' 0:U2541 3.2 41.9 1.0
O4' 0:U2541 3.4 44.5 1.0
O5' 0:U2541 3.4 42.1 1.0
C2 0:SLD9500 3.7 50.9 1.0
C3 0:SLD9500 3.9 53.7 1.0
C1' 0:C2487 4.0 54.0 1.0
O4' 0:C2487 4.0 54.7 1.0
O2' 0:G2540 4.1 50.1 1.0
C3' 0:U2541 4.2 43.8 1.0
C1 0:SLD9500 4.3 53.8 1.0
C4B 0:SLD9500 4.4 50.4 1.0
O3' 0:G2540 4.4 45.0 1.0
O3' 0:U2541 4.4 44.4 1.0
C1' 0:U2541 4.5 46.6 1.0
P 0:U2541 4.6 45.9 1.0
O2' 0:U2541 4.6 44.2 1.0
O2' 0:C2487 4.6 51.4 1.0
C2' 0:U2541 4.7 45.0 1.0
O2 0:C2487 4.8 55.0 1.0
N1 0:C2487 4.8 53.7 1.0
N1 0:SLD9500 5.0 49.4 1.0

Reference:

J.Zhou, A.Bhattacharjee, S.Chen, Y.Chen, E.Duffy, J.Farmer, J.Goldberg, R.Hanselmann, J.A.Ippolito, R.Lou, A.Orbin, A.Oyelere, J.Salvino, D.Springer, J.Tran, D.Wang, Y.Wu, G.Johnson. Design at the Atomic Level: Design of Biaryloxazolidinones As Potent Orally Active Antibiotics. Bioorg.Med.Chem.Lett. V. 18 6175 2008.
ISSN: ISSN 0960-894X
PubMed: 18947996
DOI: 10.1016/J.BMCL.2008.10.011
Page generated: Sun Dec 13 11:44:26 2020

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