Chlorine in PDB 8pvp: Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18

The structure of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18, PDB code: 8pvp was solved by A.Kraemer, F.Greco, J.Gerninghaus, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.74 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.009, 127.009, 125.838, 90, 90, 90
R / Rfree (%)	22.2 / 25.3

The binding sites of Chlorine atom in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18 (pdb code 8pvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18, PDB code: 8pvp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:122.6 occ:1.00 CL A:FWU401 0.0 122.6 1.0 C A:FWU401 1.7 109.2 1.0 C1 A:FWU401 2.6 98.4 1.0 C20 A:FWU401 2.8 106.2 1.0 C21 A:FWU401 3.3 110.2 1.0 SD A:MET225 3.8 87.3 1.0 C26 A:FWU401 3.9 104.6 1.0 C22 A:FWU401 3.9 100.5 1.0 C2 A:FWU401 4.0 77.7 1.0 CE A:MET225 4.0 96.6 1.0 C19 A:FWU401 4.0 94.4 1.0 C18 A:FWU401 4.5 89.3 1.0 CD2 A:LEU128 4.5 102.2 1.0 CD2 A:LEU124 4.7 122.6 1.0 CD1 A:TYR125 4.8 113.2 1.0 CG A:LEU124 4.9 133.6 1.0 CD1 A:LEU124 5.0 127.7 1.0 C23 A:FWU401 5.0 91.8 1.0 C25 A:FWU401 5.0 97.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:133.4 occ:1.00 CL B:FWU401 0.0 133.4 1.0 C B:FWU401 1.7 102.2 1.0 C1 B:FWU401 2.7 90.9 1.0 C20 B:FWU401 2.7 88.2 1.0 C21 B:FWU401 3.2 89.1 1.0 SD B:MET225 3.3 93.2 1.0 C22 B:FWU401 3.5 94.0 1.0 C2 B:FWU401 4.0 73.2 1.0 C19 B:FWU401 4.0 83.6 1.0 C26 B:FWU401 4.2 80.0 1.0 CG B:MET225 4.4 81.2 1.0 C18 B:FWU401 4.5 77.8 1.0 CE B:MET225 4.5 100.6 1.0 CB B:PHE121 4.5 131.4 1.0 C23 B:FWU401 4.6 87.9 1.0 CB B:PRO159 4.7 41.0 1.0 CD1 B:LEU128 5.0 98.7 1.0 CG B:PRO159 5.0 38.9 1.0

A.Kraemer, F.Greco, J.Gerninghaus, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Human Casein Kinase II Subunit Alpha (CK2A1) in Complex with Allosteric Compound FGJG18 To Be Published.