Atomistry » Fluorine » PDB 6onv-6p3p » 6oqo
Atomistry »
  Fluorine »
    PDB 6onv-6p3p »
      6oqo »

Fluorine in PDB 6oqo: CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine

Enzymatic activity of CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine

All present enzymatic activity of CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine:
2.7.11.22;

Protein crystallography data

The structure of CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine, PDB code: 6oqo was solved by J.M.Murray, G.D.L.Boenig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.07 / 1.98
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 103.335, 103.335, 59.851, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 26.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine (pdb code 6oqo). 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 CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine, PDB code: 6oqo:

Fluorine binding site 1 out of 1 in 6oqo

Go back to Fluorine Binding Sites List in 6oqo
Fluorine binding site 1 out of 1 in the CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of CDK6 in Complex with CPD24 N-(5-(6-Ethyl-2,6-Diazaspiro[3.3]Heptan-2- Yl)Pyridin-2-Yl)-5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro-4H- Pyrazolo[1,5-A]Azepin-3-Yl)Pyrimidin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:55.6
occ:1.00
 F34 A:N1J401 0.0 55.6 1.0
C20 A:N1J401 1.4 54.6 1.0
C19 A:N1J401 2.3 53.8 1.0
C21 A:N1J401 2.4 50.5 1.0
C24 A:N1J401 2.8 50.0 1.0
C23 A:N1J401 2.9 49.0 1.0
N18 A:N1J401 3.5 58.4 1.0
N22 A:N1J401 3.6 55.2 1.0
CB A:PHE98 3.6 52.5 1.0
CB A:ALA41 4.0 51.9 1.0
CG A:PHE98 4.0 49.5 1.0
O A:GLU99 4.0 67.8 1.0
CD2 A:PHE98 4.0 53.5 1.0
CG2 A:VAL77 4.0 50.7 1.0
N25 A:N1J401 4.0 47.4 1.0
C17 A:N1J401 4.0 55.8 1.0
CG1 A:VAL77 4.1 66.8 1.0
CD1 A:LEU152 4.1 46.8 1.0
CB A:ALA162 4.3 47.1 1.0
C27 A:N1J401 4.3 48.9 1.0
CB A:VAL77 4.5 48.4 1.0
N26 A:N1J401 4.8 54.4 1.0
O A:HOH517 4.8 73.4 1.0
CD1 A:PHE98 4.9 44.8 1.0
CE2 A:PHE98 5.0 52.7 1.0

Reference:

J.M.Murray, J.M.Murray, G.D.L.Boenig. N/A N/A.
Page generated: Thu Aug 1 23:53:46 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy