Chlorine in PDB 6xx7: Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp

All present enzymatic activity of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp:
2.7.11.1;

The structure of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp, PDB code: 6xx7 was solved by M.Demulder, L.De Veylder, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.41 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.560, 60.560, 228.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.6

The structure of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp (pdb code 6xx7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp, PDB code: 6xx7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:49.7 occ:1.00 ND1 A:HIS143 2.9 40.5 1.0 O A:HOH520 3.1 44.3 1.0 O A:HOH556 3.2 37.6 1.0 N A:ALA310 3.2 46.1 1.0 CB A:THR309 3.8 48.7 1.0 CB A:ALA310 3.8 32.6 1.0 CE1 A:HIS143 3.8 38.9 1.0 CG A:HIS143 3.9 45.1 1.0 CA A:THR309 3.9 37.2 1.0 CG2 A:VAL6 4.0 35.1 1.0 CB A:HIS143 4.0 45.2 1.0 C A:THR309 4.1 44.6 1.0 CA A:ALA310 4.1 43.0 1.0 CG2 A:THR309 4.6 51.0 1.0 CB A:TYR206 4.6 40.5 1.0 CE2 A:TYR7 4.6 52.0 1.0 OG1 A:THR309 4.8 49.5 1.0 CD2 A:TYR7 4.8 42.0 1.0 OD1 A:ASP140 4.9 61.0 1.0 N A:LYS311 4.9 43.1 1.0 SD A:MET210 4.9 52.3 1.0 NE2 A:HIS143 5.0 37.5 1.0 O A:HOH540 5.0 41.2 1.0

Chlorine binding site 2 out of 3 in the Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:76.0 occ:1.00 NH1 A:ARG75 3.4 68.8 1.0 NH2 A:ARG150 3.4 41.1 1.0 O A:HOH536 3.8 42.8 1.0 NH2 A:ARG75 3.9 54.9 1.0 CZ A:ARG75 4.1 60.5 1.0 CB A:ASN184 4.4 56.1 1.0 CZ A:ARG150 4.5 43.1 1.0 ND2 A:ASN184 4.6 68.8 1.0 CG1 A:VAL187 4.7 40.4 1.0 NH1 A:ARG150 4.7 43.5 1.0 CD2 A:LEU173 4.8 42.8 1.0 CG A:ASN184 5.0 66.5 1.0

Chlorine binding site 3 out of 3 in the Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Arabidopsis Thaliana Casein Kinase 2 (CK2) Alpha-1 Crystal in Complex with Anp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.0 occ:1.00 N A:TRP276 3.5 53.1 1.0 CG2 A:ILE293 4.0 40.6 1.0 CD1 A:TRP276 4.1 51.6 1.0 CB A:TRP276 4.1 44.6 1.0 NH1 A:ARG273 4.1 82.9 1.0 CA A:PRO275 4.2 56.6 1.0 CB A:PRO275 4.2 49.1 1.0 N A:SER277 4.3 50.3 1.0 CA A:TRP276 4.3 54.6 1.0 C A:PRO275 4.3 49.3 1.0 CG A:TRP276 4.4 43.6 1.0 C A:TRP276 4.8 55.4 1.0

M.Demulder, L.De Veylder, R.Loris. Crystal Structure of Arabidopsis Thaliana Casein Kinase 2 Alpha 1. Acta Crystallogr.,Sect.F V. 76 182 2020.
ISSN: ESSN 2053-230X
PubMed: 32254052
DOI: 10.1107/S2053230X20004537