Chlorine in PDB 5owh: High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol

Enzymatic activity of High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol

All present enzymatic activity of High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol:
2.7.11.1;

Protein crystallography data

The structure of High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol, PDB code: 5owh was solved by K.Niefind, M.Bretner, C.Chojnacki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.77 / 2.30
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	71.661, 71.661, 133.107, 90.00, 90.00, 90.00
*R / R_free (%)*	21.9 / 26.3

Other elements in 5owh:

The structure of High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol also contains other interesting chemical elements:

Bromine

(Br)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol (pdb code 5owh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol, PDB code: 5owh:

Chlorine binding site 1 out of 1 in 5owh

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Chlorine Binding Sites List in 5owh

Chlorine binding site 1 out of 1 in the High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Salt Structure of Human Protein Kinase CK2ALPHA in Complex with 3-Aminopropyl-4,5,6,7-Tetrabromobenzimidazol within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl402 b:51.2 occ:1.00	O	A:HOH544	2.7	45.5	1.0
	ND1	A:HIS148	2.9	36.8	1.0
	O	A:HOH503	3.2	49.1	1.0
	N	A:ALA315	3.4	36.7	1.0
	CG	A:HIS148	3.7	41.6	1.0
	CB	A:HIS148	3.8	38.8	1.0
	CB	A:THR314	3.8	40.4	1.0
	CE1	A:HIS148	3.9	36.5	1.0
	CG2	A:VAL11	4.0	57.0	1.0
	CB	A:ALA315	4.0	35.5	1.0
	CA	A:THR314	4.0	41.9	1.0
	CE2	A:TYR12	4.1	49.7	1.0
	C	A:THR314	4.2	38.4	1.0
	CD2	A:TYR12	4.2	52.4	1.0
	CA	A:ALA315	4.3	40.0	1.0
	CB	A:TYR211	4.3	38.0	1.0
	CG2	A:THR314	4.5	42.8	1.0
	CD2	A:HIS148	4.8	39.5	1.0
	OG1	A:THR314	4.9	41.4	1.0
	CG	A:TYR211	4.9	36.5	1.0
	NE2	A:HIS148	4.9	37.5	1.0
	OD1	A:ASP145	4.9	55.5	1.0

Reference:

K.Chojnacki, P.Winska, M.Wielechowska, E.Lukowska-Chojnacka, C.Tolzer, K.Niefind, M.Bretner. Biological Properties and Structural Study of New Aminoalkyl Derivatives of Benzimidazole and Benzotriazole, Dual Inhibitors of CK2 and PIM1 Kinases. Bioorg. Chem. V. 80 266 2018.
ISSN: ISSN 1090-2120
PubMed: 29966873
DOI: 10.1016/J.BIOORG.2018.06.022

Page generated: Sat Dec 12 12:14:14 2020

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