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Fluorine in PDB 5iis: Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold

Enzymatic activity of Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold

All present enzymatic activity of Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold:
2.7.11.1;

Protein crystallography data

The structure of Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold, PDB code: 5iis was solved by C.Bellamacina, D.Bussiere, M.Burger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.78 / 2.10
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.720, 97.720, 80.609, 90.00, 90.00, 120.00
R / Rfree (%) 17.1 / 19.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold (pdb code 5iis). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold, PDB code: 5iis:

Fluorine binding site 1 out of 1 in 5iis

Go back to Fluorine Binding Sites List in 5iis
Fluorine binding site 1 out of 1 in the Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:35.2
occ:1.00
 F A:6CB402 0.0 35.2 1.0
C22 A:6CB402 1.4 29.3 1.0
C21 A:6CB402 2.3 31.3 1.0
H11 A:6CB402 2.4 27.1 1.0
C17 A:6CB402 2.4 26.0 1.0
H18 A:6CB402 2.6 34.5 1.0
C14 A:6CB402 2.9 26.0 1.0
C13 A:6CB402 2.9 24.4 1.0
CG1 A:VAL126 3.4 31.1 1.0
CD1 A:LEU44 3.5 32.9 1.0
C20 A:6CB402 3.6 32.9 1.0
C18 A:6CB402 3.6 27.5 1.0
CD2 A:LEU44 3.8 34.9 1.0
CD A:ARG122 3.9 36.6 1.0
C19 A:6CB402 4.1 31.0 1.0
N4 A:6CB402 4.1 23.5 1.0
CG A:ARG122 4.1 30.7 1.0
C15 A:6CB402 4.1 28.6 1.0
O A:HOH705 4.1 65.2 1.0
O A:HOH602 4.1 31.5 1.0
CG A:LEU44 4.2 32.8 1.0
H17 A:6CB402 4.5 34.7 1.0
H15 A:6CB402 4.5 29.2 1.0
H2 A:6CB402 4.6 36.3 1.0
H12 A:6CB402 4.6 30.7 1.0
CB A:VAL126 4.8 31.0 1.0
CB A:LEU44 4.9 28.4 1.0

Reference:

G.A.Nishiguchi, M.T.Burger, W.Han, J.Lan, G.Atallah, V.Tamez, M.Lindvall, C.Bellamacina, P.Garcia, P.Feucht, T.Zavorotinskaya, Y.Dai, K.Wong. Design, Synthesis and Structure Activity Relationship of Potent Pan-Pim Kinase Inhibitors Derived From the Pyridyl Carboxamide Scaffold. Bioorg.Med.Chem.Lett. V. 26 2328 2016.
ISSN: ESSN 1464-3405
PubMed: 26995528
DOI: 10.1016/J.BMCL.2016.03.037
Page generated: Thu Aug 1 10:16:19 2024

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