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Chlorine in PDB 5t6e: Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand
Enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand
All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand:
2.3.1.97;
2.3.1.97;
Protein crystallography data
The structure of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand, PDB code: 5t6e
was solved by
D.A.Robinson,
P.G.Wyatt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.50 / 2.30 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 51.276, 58.339, 152.100, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.6 / 24.8 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand
(pdb code 5t6e). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand, PDB code: 5t6e:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand, PDB code: 5t6e:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 5t6e
Go back to
Chlorine Binding Sites List in 5t6e
Chlorine binding site 1 out
of 2 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 5t6e
Go back to
Chlorine Binding Sites List in 5t6e
Chlorine binding site 2 out
of 2 in the Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Dichloro-Dimethylpyridyl-Methoxy- Phenyl-Pyridyl-Piperazine Ligand within 5.0Å range:
|
Reference:
T.Bayliss,
D.A.Robinson,
V.C.Smith,
S.Brand,
S.P.Mcelroy,
L.S.Torrie,
C.Mpamhanga,
S.Norval,
L.Stojanovski,
R.Brenk,
J.A.Frearson,
K.D.Read,
I.H.Gilbert,
P.G.Wyatt.
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem. V. 60 9790 2017.
ISSN: ISSN 1520-4804
PubMed: 29125744
DOI: 10.1021/ACS.JMEDCHEM.7B01255
Page generated: Fri Jul 26 17:19:41 2024
ISSN: ISSN 1520-4804
PubMed: 29125744
DOI: 10.1021/ACS.JMEDCHEM.7B01255
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