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Fluorine in PDB 3u7l: Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors

Enzymatic activity of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors

All present enzymatic activity of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors:
3.5.1.88;

Protein crystallography data

The structure of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors, PDB code: 3u7l was solved by S.J.Lee, S.-J.Lee, S.K.Lee, H.-J.Yoon, H.H.Lee, K.K.Kim, B.J.Lee, S.W.Suh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.01
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 94.781, 120.209, 47.786, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.6

Other elements in 3u7l:

The structure of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors (pdb code 3u7l). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors, PDB code: 3u7l:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3u7l

Go back to Fluorine Binding Sites List in 3u7l
Fluorine binding site 1 out of 2 in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F192

b:49.9
occ:1.00
F1 A:UDB192 0.0 49.9 1.0
CAL A:UDB192 1.3 47.1 1.0
CAK A:UDB192 2.4 43.1 1.0
CAM A:UDB192 2.4 47.2 1.0
CAJ A:UDB192 3.6 41.3 1.0
CAN A:UDB192 3.7 47.1 1.0
O A:HOH304 3.8 42.2 1.0
CG A:PRO78 4.0 22.4 1.0
CAP A:UDB192 4.2 44.3 1.0
OG A:SER57 4.2 32.2 1.0
CD A:PRO78 4.6 21.5 1.0
NAI A:UDB192 4.7 34.0 1.0
F2 A:UDB192 4.7 49.4 1.0
CG1 A:VAL59 4.8 20.1 1.0

Fluorine binding site 2 out of 2 in 3u7l

Go back to Fluorine Binding Sites List in 3u7l
Fluorine binding site 2 out of 2 in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F192

b:49.4
occ:1.00
F2 A:UDB192 0.0 49.4 1.0
CAN A:UDB192 1.3 47.1 1.0
CAM A:UDB192 2.4 47.2 1.0
CAP A:UDB192 2.4 44.3 1.0
CAL A:UDB192 3.6 47.1 1.0
CAJ A:UDB192 3.6 41.3 1.0
CAK A:UDB192 4.1 43.1 1.0
O A:HOH304 4.2 42.2 1.0
F1 A:UDB192 4.7 49.9 1.0
O A:GLU185 4.8 45.6 1.0
C A:GLU185 4.8 45.5 1.0
NAI A:UDB192 4.9 34.0 1.0
CB A:GLU185 4.9 45.8 1.0

Reference:

S.J.Lee, S.-J.Lee, S.K.Lee, H.-J.Yoon, H.H.Lee, K.K.Kim, B.J.Lee, B.I.Lee, S.W.Suh. Structures of Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors Acta Crystallogr.,Sect.D V. 68 784 2012.
ISSN: ISSN 0907-4449
PubMed: 22751663
DOI: 10.1107/S0907444912011912
Page generated: Sun Dec 13 11:56:20 2020

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