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Chlorine 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:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 6hme

Go back to Chlorine Binding Sites List in 6hme
Chlorine 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 Chlorine with other atoms in the Cl 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
A:Cl404

b:82.2
occ:1.00
OE2 A:GLU86 3.1 53.0 1.0
NH1 A:ARG89 3.2 64.5 1.0
NH2 A:ARG89 3.9 52.0 1.0
CD1 A:ILE100 3.9 50.2 1.0
CZ A:ARG89 4.0 62.9 1.0
CD A:GLU86 4.0 55.0 1.0
CD2 A:LEU97 4.1 38.9 1.0
CG A:GLU86 4.2 39.6 1.0
CG1 A:ILE100 4.3 49.2 1.0
CG A:LEU97 4.5 36.4 1.0
O A:LEU97 4.8 39.1 1.0
O A:HOH514 4.8 43.6 1.0
CA A:ASP99 4.9 33.8 1.0
N A:ASP99 4.9 37.9 1.0
O A:ALA98 5.0 40.3 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: Sun Jul 28 00:57:40 2024

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