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Chlorine in PDB 6hmd: Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18

Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18

All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18:
2.7.11.1;

Protein crystallography data

The structure of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18, PDB code: 6hmd 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) 22.33 / 1.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.890, 45.820, 48.520, 113.02, 89.21, 91.18
R / Rfree (%) 14.9 / 17.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18 (pdb code 6hmd). 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 Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18, PDB code: 6hmd:

Chlorine binding site 1 out of 1 in 6hmd

Go back to Chlorine Binding Sites List in 6hmd
Chlorine binding site 1 out of 1 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Indenoindole-Type Inhibitor AR18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:15.6
occ:0.73
 H A:ASN190 2.1 13.7 1.0
O A:HOH782 2.2 14.8 0.4
HH12 A:ARG156 2.2 11.7 1.0
HD1 A:TYR189 2.7 11.7 1.0
N A:ASN190 3.0 11.4 1.0
NH1 A:ARG156 3.0 9.8 1.0
HB2 A:ASN190 3.0 17.0 1.0
HA A:TYR189 3.1 12.2 1.0
HH22 A:ARG156 3.2 11.2 1.0
HB3 A:TYR189 3.2 12.6 1.0
HG3 A:GLU181 3.2 17.2 1.0
O A:HOH833 3.2 18.2 1.0
HB3 A:ASN190 3.3 17.0 1.0
O A:HOH923 3.4 43.5 1.0
CB A:ASN190 3.5 14.2 1.0
HH11 A:ARG156 3.5 11.7 1.0
CD1 A:TYR189 3.5 9.8 1.0
O A:HOH782 3.6 18.9 0.6
CA A:TYR189 3.7 10.2 1.0
CB A:TYR189 3.8 10.5 1.0
NH2 A:ARG156 3.8 9.3 1.0
C A:TYR189 3.8 10.8 1.0
CZ A:ARG156 3.8 8.8 1.0
CA A:ASN190 3.9 11.8 1.0
CG A:GLU181 4.1 14.3 1.0
CG A:TYR189 4.1 9.6 1.0
HG2 A:GLU181 4.2 17.2 1.0
HH12 A:ARG81 4.3 17.9 1.0
HH A:TYR210 4.4 10.0 1.0
OE2 A:GLU181 4.5 18.1 1.0
O A:ASN190 4.5 10.9 1.0
CE1 A:TYR189 4.6 9.5 1.0
HA A:ASN190 4.6 14.1 1.0
HH21 A:ARG156 4.6 11.2 1.0
HE1 A:TYR189 4.6 11.4 1.0
HB2 A:TYR189 4.6 12.6 1.0
OH A:TYR210 4.7 8.3 1.0
O A:HOH811 4.7 42.9 1.0
HG11 A:VAL193 4.7 15.9 1.0
C A:ASN190 4.7 10.3 1.0
HH11 A:ARG81 4.7 17.9 1.0
CD A:GLU181 4.7 14.7 1.0
O A:HOH845 4.8 38.3 1.0
NH1 A:ARG81 4.8 14.9 1.0
HE21 A:GLN187 4.8 20.3 1.0
HD22 A:ASN190 4.8 24.9 1.0
CG A:ASN190 4.9 17.3 1.0
HB2 A:GLU181 5.0 12.0 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 00:57:37 2024

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