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Sodium in PDB 6hme: Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27

Enzymatic activity of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27

All present enzymatic activity of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27:
2.7.11.1;

Protein crystallography data

The structure of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27, PDB code: 6hme was solved by K.Niefind, D.Lindenblatt, J.Jose, M.Le Borgne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 89.36 / 1.85
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 126.370, 126.370, 124.630, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 19.7

Other elements in 6hme:

The structure of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 (pdb code 6hme). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27, PDB code: 6hme:

Sodium binding site 1 out of 1 in 6hme

Go back to Sodium Binding Sites List in 6hme
Sodium binding site 1 out of 1 in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA; CSNK2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na409

b:61.1
occ:1.00
 O B:HOH687 2.3 63.9 1.0
O B:HOH556 2.8 45.4 1.0
O B:HOH628 2.9 47.9 1.0
O B:PHE232 3.1 47.8 1.0
CD1 B:PHE233 3.8 45.9 1.0
CA B:PHE233 4.0 41.4 1.0
C B:PHE232 4.1 47.9 1.0
CG2 B:VAL248 4.1 46.9 1.0
CE1 B:PHE233 4.4 38.8 1.0
O B:ARG244 4.4 43.7 1.0
CE2 B:PHE232 4.4 46.6 1.0
N B:PHE233 4.4 43.6 1.0
CD2 B:PHE232 4.5 46.4 1.0
O B:HOH676 4.5 66.0 1.0
CG B:PHE233 4.6 38.6 1.0
CB B:ARG244 4.7 44.4 1.0
CE B:LYS229 4.7 68.6 1.0
NZ B:LYS229 4.7 62.1 1.0
CB B:PHE233 4.7 40.4 1.0
N B:HIS234 4.8 43.4 1.0
CZ B:PHE232 4.8 45.7 1.0
C B:PHE233 5.0 41.5 1.0
C B:ARG244 5.0 49.5 1.0

Reference:

D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Hochscherf, B.Witulski, Z.Bouaziz, C.Marminon, M.Bretner, M.Le Borgne, J.Jose, K.Niefind. Diacritic Binding of An Indenoindole Inhibitor By CK2 Alpha Paralogs Explored By A Reliable Path to Atomic Resolution CK2 Alpha ' Structures. Acs Omega V. 4 5471 2019.
ISSN: ESSN 2470-1343
PubMed: 31559376
DOI: 10.1021/ACSOMEGA.8B03415
Page generated: Tue Dec 15 12:21:44 2020

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