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Fluorine in PDB 4aw1: Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
Enzymatic activity of Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
All present enzymatic activity of Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket, PDB code: 4aw1
was solved by
J.O.Schulze,
K.Busschots,
L.A.Lopez-Garcia,
C.Lammi,
A.Stroba,
S.Zeuzem,
A.Piiper,
P.M.Alzari,
S.Neimanis,
J.M.Arencibia,
M.Engel,
R.M.Biondi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 36.301 / 1.68 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 145.650, 42.670, 46.330, 90.00, 98.52, 90.00 |
| R / Rfree (%) | 16.41 / 18.58 |
Other elements in 4aw1:
The structure of Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket also contains other interesting chemical elements:
| Manganese | (Mn) | 1 atom |
| Chlorine | (Cl) | 3 atoms |
| Sodium | (Na) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
(pdb code 4aw1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket, PDB code: 4aw1:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket, PDB code: 4aw1:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 4aw1
Go back to
Fluorine Binding Sites List in 4aw1
Fluorine binding site 1 out
of 3 in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
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 Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 4aw1
Go back to
Fluorine Binding Sites List in 4aw1
Fluorine binding site 2 out
of 3 in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
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 Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 4aw1
Go back to
Fluorine Binding Sites List in 4aw1
Fluorine binding site 3 out
of 3 in the Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket
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 Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the Pif-Pocket within 5.0Å range:
|
Reference:
K.Busschots,
L.A.Lopez-Garcia,
C.Lammi,
A.Stroba,
S.Zeuzem,
A.Piiper,
P.M.Alzari,
S.Neimanis,
J.M.Arencibia,
M.Engel,
J.O.Schulze,
R.M.Biondi.
Substrate-Selective Inhibition of Protein Kinase PDK1 By Small Compounds That Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol. V. 19 1152 2012.
ISSN: ISSN 1074-5521
PubMed: 22999883
DOI: 10.1016/J.CHEMBIOL.2012.07.017
Page generated: Sun Dec 13 11:58:57 2020
ISSN: ISSN 1074-5521
PubMed: 22999883
DOI: 10.1016/J.CHEMBIOL.2012.07.017
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