Chlorine in PDB 3u87: Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue

Enzymatic activity of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue

All present enzymatic activity of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue:
2.7.11.1;

Protein crystallography data

The structure of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue, PDB code: 3u87 was solved by K.Niefind, J.Raaf, O.-G.Issinger, B.Olsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	36.66 / 2.90
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	127.821, 127.821, 125.333, 90.00, 90.00, 90.00
*R / R_free (%)*	18.6 / 21.8

Other elements in 3u87:

The structure of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue (pdb code 3u87). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue, PDB code: 3u87:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3u87

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Chlorine Binding Sites List in 3u87

Chlorine binding site 1 out of 2 in the Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl404 b:83.5 occ:1.00	NZ	A:LYS279	3.2	71.4	1.0
	CE	A:LYS279	3.6	73.2	1.0
	ND1	A:HIS276	3.7	94.1	1.0
	OG	A:SER277	4.1	84.4	1.0
	N	A:SER277	4.2	81.1	1.0
	CA	A:HIS276	4.4	85.2	1.0
	CB	A:HIS276	4.4	85.5	1.0
	CG	A:HIS276	4.5	91.0	1.0
	CE1	A:HIS276	4.7	96.0	1.0
	C	A:HIS276	4.8	81.0	1.0
	O	A:ARG275	5.0	92.8	1.0

Chlorine binding site 2 out of 2 in 3u87

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Chlorine Binding Sites List in 3u87

Chlorine binding site 2 out of 2 in the Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Chimeric Construct of Human CK2ALPHA and Human CK2ALPHA' in Complex with A Non-Hydrolysable Atp-Analogue within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl404 b:85.2 occ:1.00	NZ	B:LYS279	3.5	71.5	1.0
	CE	B:LYS279	3.9	72.9	1.0
	CD2	B:HIS276	3.9	92.3	1.0
	N	B:SER277	4.1	80.6	1.0
	OG	B:SER277	4.1	84.0	1.0
	CA	B:HIS276	4.2	84.8	1.0
	CB	B:HIS276	4.4	85.6	1.0
	CG	B:HIS276	4.5	91.0	1.0
	O	B:ARG275	4.6	93.0	1.0
	C	B:HIS276	4.7	80.7	1.0
	CB	B:SER277	4.9	82.7	1.0

Reference:

K.Klopffleisch, O.G.Issinger, K.Niefind. Low-Density Crystal Packing of Human Protein Kinase CK2 Catalytic Subunit in Complex with Resorufin or Other Ligands: A Tool to Study the Unique Hinge-Region Plasticity of the Enzyme Without Packing Bias. Acta Crystallogr.,Sect.D V. 68 883 2012.
ISSN: ISSN 0907-4449
PubMed: 22868753
DOI: 10.1107/S0907444912016587

Page generated: Sun Jul 21 05:53:42 2024

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