Sodium in PDB 5ooi: Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P

Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P

All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P:
2.7.11.1;

Protein crystallography data

The structure of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P, PDB code: 5ooi was solved by J.Hochscherf, D.Lindenblatt, B.Witulski, R.Birus, D.Aichele, C.Marminon, Z.Bouaziz, M.Le Borgne, J.Jose, K.Niefind, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.48 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.488, 112.128, 143.692, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 22.1

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P (pdb code 5ooi). 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 Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P, PDB code: 5ooi:

Sodium binding site 1 out of 1 in 5ooi

Go back to Sodium Binding Sites List in 5ooi
Sodium binding site 1 out of 1 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA') in Complex with the Indenoindole-Type Inhibitor 4P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na405

b:41.4
occ:1.00
 OD2 A:ASP176 2.5 24.2 1.0
OD1 A:ASN162 2.6 16.8 1.0
O A:HOH518 2.7 39.9 1.0
O A:HOH537 3.3 43.8 1.0
CG A:ASP176 3.4 24.6 1.0
CG A:ASN162 3.4 16.9 1.0
ND2 A:ASN162 3.5 17.9 1.0
C13 A:9YE401 3.6 25.6 1.0
O A:HOH700 3.6 54.4 1.0
CB A:ASP176 3.6 17.8 1.0
OD2 A:ASP157 4.0 22.1 1.0
CE A:LYS159 4.1 22.2 1.0
O A:HOH673 4.1 56.8 1.0
NZ A:LYS159 4.2 25.1 1.0
C14 A:9YE401 4.3 24.6 1.0
CA A:GLY49 4.5 38.2 1.0
O A:HOH532 4.5 21.4 1.0
OD1 A:ASP176 4.5 24.5 1.0
C12 A:9YE401 4.8 22.1 1.0
CB A:ASN162 4.9 18.7 1.0
O A:ARG48 5.0 44.2 1.0

Reference:

J.Hochscherf, D.Lindenblatt, B.Witulski, R.Birus, D.Aichele, C.Marminon, Z.Bouaziz, M.Le Borgne, J.Jose, K.Niefind. Unexpected Binding Mode of A Potent Indeno[1,2-B]Indole-Type Inhibitor of Protein Kinase CK2 Revealed By Complex Structures with the Catalytic Subunit CK2 Alpha and Its Paralog CK2 Alpha '. Pharmaceuticals (Basel) V. 10 2017.
ISSN: ESSN 1424-8247
PubMed: 29236079
DOI: 10.3390/PH10040098
Page generated: Tue Dec 15 11:25:20 2020

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