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Fluorine in PDB 3vc4: Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
Enzymatic activity of Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
All present enzymatic activity of Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design, PDB code: 3vc4
was solved by
J.Liu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 85.30 / 2.23 |
| Space group | P 65 |
| Cell size a, b, c (Å), α, β, γ (°) | 98.496, 98.496, 81.025, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 25.7 / 31.9 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
(pdb code 3vc4). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design, PDB code: 3vc4:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design, PDB code: 3vc4:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 3vc4
Go back to
Fluorine Binding Sites List in 3vc4
Fluorine binding site 1 out
of 3 in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
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 Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 3vc4
Go back to
Fluorine Binding Sites List in 3vc4
Fluorine binding site 2 out
of 3 in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
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 Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 3vc4
Go back to
Fluorine Binding Sites List in 3vc4
Fluorine binding site 3 out
of 3 in the Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design
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 Exploitation of Hydrogen Bonding Constraints and Flat Hydrophobic Energy Landscapes in Pim-1 Kinase Needle Screening and Inhibitor Design within 5.0Å range:
|
Reference:
A.C.Good,
J.Liu,
B.Hirth,
G.Asmussen,
Y.Xiang,
H.P.Biemann,
K.A.Bishop,
T.Fremgen,
M.Fitzgerald,
T.Gladysheva,
A.Jain,
K.Jancsics,
M.Metz,
A.Papoulis,
R.Skerlj,
J.D.Stepp,
R.R.Wei.
Implications of Promiscuous Pim-1 Kinase Fragment Inhibitor Hydrophobic Interactions For Fragment-Based Drug Design. J.Med.Chem. V. 55 2641 2012.
ISSN: ISSN 0022-2623
PubMed: 22339127
DOI: 10.1021/JM2014698
Page generated: Sun Dec 13 11:56:58 2020
ISSN: ISSN 0022-2623
PubMed: 22339127
DOI: 10.1021/JM2014698
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