Fluorine in PDB 6oqi: CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine)

Enzymatic activity of CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine)

All present enzymatic activity of CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine):
2.7.11.22;

Protein crystallography data

The structure of CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine), PDB code: 6oqi was solved by J.M.Murray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.94 / 2.00
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	53.460, 72.090, 71.600, 90.00, 90.00, 90.00
*R / R_free (%)*	19.8 / 24.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine) (pdb code 6oqi). 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 CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine), PDB code: 6oqi:

Fluorine binding site 1 out of 1 in 6oqi

Go back to

Fluorine Binding Sites List in 6oqi

Fluorine binding site 1 out of 1 in the CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-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 CDK2 in Complex with CPD14 (5-Fluoro-4-(4-Methyl-5,6,7,8-Tetrahydro- 4H-Pyrazolo[1,5-A]Azepin-3-Yl)-N-(5-(4-Methylpiperazin-1-Yl)Pyridin- 2-Yl)Pyrimidin-2-Amine) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F301 b:36.5 occ:1.00	F32	A:N14301	0.0	36.5	1.0
	C13	A:N14301	1.4	35.5	1.0
	C14	A:N14301	2.4	28.5	1.0
	C12	A:N14301	2.4	37.2	1.0
	C10	A:N14301	2.8	45.8	1.0
	C9	A:N14301	2.9	44.6	1.0
	CB	A:PHE80	3.5	36.2	1.0
	N15	A:N14301	3.6	34.6	1.0
	N17	A:N14301	3.6	43.9	1.0
	CG	A:PHE80	3.7	40.5	1.0
	CG1	A:VAL64	3.7	39.0	1.0
	O	A:HOH460	3.8	70.5	1.0
	CB	A:ALA31	3.8	33.5	1.0
	CD2	A:PHE80	3.9	40.6	1.0
	C16	A:N14301	4.0	31.1	1.0
	N11	A:N14301	4.1	42.6	1.0
	O	A:GLU81	4.1	37.5	1.0
	C8	A:N14301	4.2	43.5	1.0
	CD1	A:LEU134	4.3	31.2	1.0
	CD1	A:PHE80	4.4	38.7	1.0
	CB	A:ALA144	4.6	30.5	1.0
	CB	A:VAL64	4.7	31.8	1.0
	CE2	A:PHE80	4.7	43.9	1.0
	N7	A:N14301	4.8	41.0	1.0
	CA	A:PHE80	4.9	38.5	1.0
	CG2	A:VAL64	4.9	37.7	1.0

Reference:

J.M.Murray, J.M.Murray. N/A N/A.

Page generated: Thu Aug 1 23:52:59 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy