Chlorine in PDB 7l1x: Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600.

Enzymatic activity of Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600.

All present enzymatic activity of Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600.:
2.7.11.1;

Protein crystallography data

The structure of Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600., PDB code: 7l1x was solved by O.Rechkoblit, A.K.Aggarwal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.88 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.348, 45.981, 63.683, 90, 111.84, 90
R / Rfree (%) 17.3 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600. (pdb code 7l1x). 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 Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600., PDB code: 7l1x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7l1x

Go back to Chlorine Binding Sites List in 7l1x
Chlorine binding site 1 out of 2 in the Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:66.6
occ:0.00
CL2 A:ON6406 0.0 66.6 0.0
C21 A:ON6406 1.8 62.5 0.0
O5 A:ON6406 2.6 48.9 0.7
C22 A:ON6406 2.8 62.2 0.0
H9 A:ON6406 2.9 62.2 0.0
C20 A:ON6406 2.9 51.4 0.0
O A:HOH647 3.2 50.5 1.0
S1 A:ON6406 3.4 46.6 0.7
H11 A:ON6406 3.4 46.0 0.7
C16 A:ON6406 3.4 45.8 0.7
O6 A:ON6406 3.8 43.6 0.7
C17 A:ON6406 4.1 61.8 0.0
C19 A:ON6406 4.2 55.6 0.0
H10 A:ON6406 4.5 46.0 0.7
HH22 A:ARG43 4.5 54.7 0.5
C18 A:ON6406 4.6 60.4 0.0
C4 A:ON6406 4.8 47.2 1.0
H14 A:ON6406 4.9 45.8 1.0
HD21 A:LEU45 4.9 41.5 1.0
H7 A:ON6406 4.9 61.8 0.0
NH2 A:ARG43 5.0 54.7 0.5

Chlorine binding site 2 out of 2 in 7l1x

Go back to Chlorine Binding Sites List in 7l1x
Chlorine binding site 2 out of 2 in the Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human CK2 Alpha Kinase (Catalytic Subunit) with the Inhibitor 108600. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:56.1
occ:0.00
CL1 A:ON6406 0.0 56.1 0.0
C19 A:ON6406 1.8 55.6 0.0
H10 A:ON6406 2.0 46.0 0.7
HD22 A:ASN118 2.4 41.5 1.0
C16 A:ON6406 2.7 45.8 0.7
C20 A:ON6406 2.7 51.4 0.0
C18 A:ON6406 2.8 60.4 0.0
HD21 A:ASN118 2.9 41.5 1.0
ND2 A:ASN118 2.9 41.0 1.0
H8 A:ON6406 3.0 60.4 0.0
H14 A:ON6406 3.1 45.8 1.0
H11 A:ON6406 3.3 46.0 0.7
HA A:ASP120 3.5 56.4 1.0
C5 A:ON6406 3.6 46.0 1.0
S1 A:ON6406 4.0 46.6 0.7
C4 A:ON6406 4.0 47.2 1.0
HB2 A:ASP120 4.1 60.9 1.0
C17 A:ON6406 4.1 61.8 0.0
HB3 A:ASN118 4.1 44.2 1.0
C21 A:ON6406 4.2 62.5 0.0
HE1 A:MET163 4.2 38.3 1.0
CG A:ASN118 4.2 42.5 1.0
CA A:ASP120 4.3 56.8 1.0
C6 A:ON6406 4.4 44.7 1.0
N A:ASP120 4.5 56.7 1.0
H2 A:ON6406 4.5 44.1 1.0
C22 A:ON6406 4.6 62.2 0.0
H A:ASP120 4.7 57.0 1.0
CB A:ASP120 4.7 60.6 1.0
CB A:ASN118 4.7 44.2 1.0
HD2 A:HIS160 4.8 51.6 1.0
O5 A:ON6406 4.8 48.9 0.7
H A:PHE121 4.9 47.4 1.0
O A:HOH658 4.9 47.4 1.0
C A:THR119 5.0 57.9 1.0
H7 A:ON6406 5.0 61.8 0.0
CE A:MET163 5.0 38.1 1.0

Reference:

K.Sato, A.A.Padgaonkar, S.J.Baker, S.C.Cosenza, O.Rechkoblit, V.Subbaiah, J.Domingo-Domenech, A.Bartkowski, E.R.Port, A.K.Aggarwal, R.Reddy, H.Y.Irie, E.P.Reddy. Simultaneous CK2/Tnik/DYRK1 Inhibition By 108600 Suppresses Triple Negative Breast Cancer Stem Cells and Chemotherapy-Resistant Disease Nat Commun 2021.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-021-24878-Z
Page generated: Sat Aug 21 13:21:26 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy