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Chlorine in PDB 5m4c: Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions

Enzymatic activity of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions

All present enzymatic activity of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions:
2.7.11.1;

Protein crystallography data

The structure of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions, PDB code: 5m4c was solved by K.Niefind, N.Bischoff, S.M.Yarmoluk, V.G.Bdzhola, A.G.Golub, A.O.Balanda, A.O.Prykhod'ko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.54 / 1.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.104, 79.418, 82.341, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions (pdb code 5m4c). 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 Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions, PDB code: 5m4c:

Chlorine binding site 1 out of 1 in 5m4c

Go back to Chlorine Binding Sites List in 5m4c
Chlorine binding site 1 out of 1 in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with A Thieno[2,3-D]Pyrimidin Inhibitor Crystallized Under Low-Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:24.1
occ:1.00
 ND1 A:HIS148 2.9 12.4 1.0
O A:HOH598 2.9 16.9 1.0
O A:HOH710 3.0 13.5 1.0
N A:ALA315 3.0 17.4 1.0
CB A:THR314 3.7 16.5 1.0
CB A:ALA315 3.7 16.4 1.0
CE1 A:HIS148 3.8 14.4 1.0
CG A:HIS148 3.8 14.3 1.0
CA A:THR314 3.8 16.9 1.0
C A:THR314 3.9 18.9 1.0
CA A:ALA315 3.9 16.6 1.0
CB A:HIS148 4.0 16.1 1.0
CG2 A:VAL11 4.2 16.6 1.0
CG2 A:THR314 4.4 16.5 1.0
CE2 A:TYR12 4.6 22.4 1.0
CB A:TYR211 4.6 10.0 1.0
OG1 A:THR314 4.7 16.6 1.0
N A:ARG316 4.7 16.7 1.0
OD1 A:ASP145 4.8 19.3 1.0
CD2 A:TYR12 4.8 18.1 1.0
O A:HOH706 4.8 28.9 1.0
SD A:MET215 4.8 18.1 1.0
O A:HOH618 4.8 19.2 1.0
C A:ALA315 4.9 15.5 1.0
NE2 A:HIS148 4.9 11.7 1.0
CG A:MET215 4.9 11.8 1.0
CD2 A:HIS148 5.0 13.9 1.0

Reference:

K.Niefind, N.Bischoff, A.G.Golub, V.G.Bdzhola, A.O.Balanda, A.O.Prykhod'ko, S.M.Yarmoluk. Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed By Complex Structures with A Flavonol- and A Thieno[2,3-D]Pyrimidine-Based Inhibitor. Pharmaceuticals V. 10 2017.
ISSN: ESSN 1424-8247
PubMed: 28085026
DOI: 10.3390/PH10010009
Page generated: Sat Dec 12 12:05:10 2020

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