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Fluorine in PDB 7yy3: Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
Enzymatic activity of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
All present enzymatic activity of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7:
2.7.7.3;
2.7.7.3;
Protein crystallography data
The structure of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7, PDB code: 7yy3
was solved by
S.E.Thomas,
A.G.Coyne,
T.L.Blundell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 57.05 / 1.54 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.931, 125.405, 119.364, 90, 90, 90 |
| R / Rfree (%) | 21 / 23.6 |
Other elements in 7yy3:
The structure of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7 also contains other interesting chemical elements:
| Magnesium | (Mg) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
(pdb code 7yy3). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7, PDB code: 7yy3:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7, PDB code: 7yy3:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7yy3
Go back to
Fluorine Binding Sites List in 7yy3
Fluorine binding site 1 out
of 3 in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
Mono view
Stereo pair view
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 Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7yy3
Go back to
Fluorine Binding Sites List in 7yy3
Fluorine binding site 2 out
of 3 in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7yy3
Go back to
Fluorine Binding Sites List in 7yy3
Fluorine binding site 3 out
of 3 in the Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment 7 within 5.0Å range:
|
Reference:
S.E.Thomas,
W.J.Mccarthy,
J.El Bakali,
K.P.Brown,
S.Y.Kim,
M.Blaszczyk,
V.Mendes,
C.Abell,
R.A.Floto,
A.G.Coyne,
T.L.Blundell.
Structural Characterization of Mycobacterium Abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications For Fragment-Based Drug Design. Front Mol Biosci V. 9 80432 2022.
ISSN: ESSN 2296-889X
PubMed: 35712348
DOI: 10.3389/FMOLB.2022.880432
Page generated: Fri Aug 2 16:02:46 2024
ISSN: ESSN 2296-889X
PubMed: 35712348
DOI: 10.3389/FMOLB.2022.880432
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