Chlorine in PDB 3pm8: Cad Domain of PFF0520W, Calcium Dependent Protein Kinase

All present enzymatic activity of Cad Domain of PFF0520W, Calcium Dependent Protein Kinase:
2.7.11.1;

The structure of Cad Domain of PFF0520W, Calcium Dependent Protein Kinase, PDB code: 3pm8 was solved by A.K.Wernimont, A.Hutchinson, J.Lew, K.Chamberlain, F.Mackenzie, P.Loppnau, D.Cossar, L.Crombet, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, M.Amani, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.61 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.019, 51.378, 51.639, 68.53, 65.75, 64.49
R / Rfree (%)	19.9 / 22.5

The structure of Cad Domain of PFF0520W, Calcium Dependent Protein Kinase also contains other interesting chemical elements:

Calcium	(Ca)	6 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Cad Domain of PFF0520W, Calcium Dependent Protein Kinase (pdb code 3pm8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cad Domain of PFF0520W, Calcium Dependent Protein Kinase, PDB code: 3pm8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cad Domain of PFF0520W, Calcium Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cad Domain of PFF0520W, Calcium Dependent Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl517 b:57.2 occ:1.00 N A:GLU354 3.3 34.8 1.0 CB A:ASN353 3.8 40.1 1.0 CA A:ASN353 3.8 36.1 1.0 CG A:GLU354 3.9 41.5 1.0 CB A:GLU354 4.0 37.6 1.0 C A:ASN353 4.1 39.0 1.0 CD1 A:LEU488 4.2 46.6 1.0 CA A:GLU354 4.3 35.1 1.0 CB A:LEU488 4.5 39.7 1.0 CG A:LEU488 4.8 46.1 1.0 CG A:ASN353 4.8 51.0 1.0 CD2 A:LEU488 4.9 48.7 1.0 OD1 A:ASN353 5.0 36.9 1.0

Chlorine binding site 2 out of 2 in the Cad Domain of PFF0520W, Calcium Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cad Domain of PFF0520W, Calcium Dependent Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl518 b:55.9 occ:1.00 ND2 B:ASN386 3.2 32.8 1.0 NZ A:LYS444 3.5 51.7 1.0 CD2 A:PHE502 3.8 31.4 1.0 O B:ASP385 3.8 32.1 1.0 CB B:ASN386 4.0 31.2 1.0 CG B:ASN386 4.1 38.4 1.0 NA A:NA516 4.1 43.7 1.0 C B:ASP385 4.3 34.5 1.0 CB A:PHE502 4.4 29.2 1.0 CE A:LYS444 4.4 50.6 1.0 CG A:PHE502 4.6 29.6 1.0 CE2 A:PHE502 4.7 34.2 1.0 N B:ASN386 4.9 30.7 1.0 CA B:ASP385 5.0 32.7 1.0

A.K.Wernimont, A.Hutchinson, J.Lew, K.Chamberlain, F.Mackenzie, P.Loppnau, D.Cossar, L.Crombet, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, M.Amani. Cad Domain of PFF0520W, Calcium Dependent Protein Kinase To Be Published.