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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 / Rfree (%) 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

Go back to 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

Go back to 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: Fri Jul 11 11:07:54 2025

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