Bromine in PDB 4ek4: Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor

Enzymatic activity of Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor

All present enzymatic activity of Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor:
2.7.11.22;

Protein crystallography data

The structure of Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor, PDB code: 4ek4 was solved by Y.N.Kang, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	22.05 / 1.26
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	53.420, 71.626, 72.607, 90.00, 90.00, 90.00
*R / R_free (%)*	15.6 / 18.4

Other elements in 4ek4:

The structure of Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor (pdb code 4ek4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor, PDB code: 4ek4:

Bromine binding site 1 out of 1 in 4ek4

Go back to

Bromine Binding Sites List in 4ek4

Bromine binding site 1 out of 1 in the Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br301 b:30.6 occ:0.45	BRAC	A:1CK301	0.0	30.6	0.5
	CAN	A:1CK301	1.9	25.6	1.0
	CAD	A:1CK301	2.8	26.7	1.0
	CAE	A:1CK301	2.9	23.2	1.0
	O	A:HIS84	3.4	17.4	1.0
	O	A:HOH428	3.7	43.6	1.0
	OE1	A:GLN85	4.0	17.6	0.5
	O	A:HOH487	4.0	24.5	1.0
	CAF	A:1CK301	4.1	23.0	1.0
	O	A:HOH582	4.2	37.5	1.0
	CAG	A:1CK301	4.2	20.3	1.0
	CD	A:LYS89	4.3	26.8	1.0
	C	A:HIS84	4.5	14.6	1.0
	CA	A:GLN85	4.6	15.1	0.5
	NE2	A:GLN85	4.7	24.1	0.5
	CA	A:GLN85	4.7	14.3	0.5
	CD	A:GLN85	4.7	17.2	0.5
	CAO	A:1CK301	4.7	19.4	1.0
	CE	A:LYS89	4.8	32.4	1.0
	NZ	A:LYS89	4.8	34.4	1.0
	CB	A:GLN85	4.9	16.4	0.5
	CG	A:GLN85	5.0	19.6	0.5

Reference:

Y.N.Kang, J.A.Stuckey. Crystal Structure of the CDK2 in Complex with Aminopyrazole Inhibitor To Be Published.

Page generated: Wed Jul 10 21:11:18 2024

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