Calcium in PDB 4iai: X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20

All present enzymatic activity of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20:
2.7.11.11;

The structure of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iai was solved by O.Gerlits, A.Kovalevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.808, 79.654, 98.356, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.9

The binding sites of Calcium atom in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20 (pdb code 4iai). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iai:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:14.4 occ:1.00 O1B A:ADP403 2.3 14.9 1.0 O1P S:SEP621 2.3 15.2 1.0 OD1 A:ASP184 2.4 13.5 1.0 O A:HOH1003 2.4 17.8 1.0 O S:HOH702 2.4 22.3 1.0 OD2 A:ASP184 2.4 14.1 1.0 O A:HOH1004 2.5 15.6 1.0 CG A:ASP184 2.8 13.6 1.0 PB A:ADP403 3.5 14.9 1.0 P S:SEP621 3.6 15.9 1.0 O3B A:ADP403 3.8 15.7 1.0 O3P S:SEP621 3.9 18.1 1.0 O A:HOH1001 4.0 13.6 1.0 NZ A:LYS72 4.1 14.8 1.0 CA A:GLY186 4.1 14.8 1.0 CA A:CA402 4.2 13.5 1.0 O A:HOH1121 4.2 24.2 1.0 O A:HOH1044 4.3 22.8 1.0 CB A:ASP184 4.3 10.7 1.0 OD2 A:ASP166 4.3 17.9 1.0 N A:GLY186 4.4 12.8 1.0 O2B A:ADP403 4.5 15.0 1.0 O3A A:ADP403 4.5 13.3 1.0 OG S:SEP621 4.6 14.0 1.0 O2P S:SEP621 4.6 15.4 1.0 O A:HOH1119 4.8 27.1 1.0 O2A A:ADP403 4.8 13.4 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High CA2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:13.5 occ:1.00 O3B A:ADP403 2.3 15.7 1.0 O2A A:ADP403 2.3 13.4 1.0 OD2 A:ASP184 2.4 14.1 1.0 O A:HOH1002 2.4 14.6 1.0 OD1 A:ASN171 2.4 13.7 1.0 O A:HOH1001 2.5 13.6 1.0 O S:HOH701 2.6 16.4 1.0 CG A:ASP184 3.4 13.6 1.0 PB A:ADP403 3.4 14.9 1.0 CG A:ASN171 3.5 14.0 1.0 PA A:ADP403 3.6 13.7 1.0 O1P S:SEP621 3.7 15.2 1.0 ND2 A:ASN171 3.8 15.4 1.0 CB A:ASP184 3.9 10.7 1.0 O3A A:ADP403 3.9 13.3 1.0 O1B A:ADP403 4.0 14.9 1.0 CA A:CA401 4.2 14.4 1.0 CE A:LYS168 4.2 14.7 1.0 NZ A:LYS168 4.4 13.3 1.0 OD1 A:ASP184 4.4 13.5 1.0 O2P S:SEP621 4.5 15.4 1.0 OD2 A:ASP166 4.5 17.9 1.0 C5' A:ADP403 4.5 12.7 1.0 O S:HOH703 4.6 20.2 1.0 O1A A:ADP403 4.6 14.4 1.0 O5' A:ADP403 4.6 13.0 1.0 O3' A:ADP403 4.7 13.4 1.0 P S:SEP621 4.8 15.9 1.0 O2B A:ADP403 4.8 15.0 1.0 CB A:ASN171 4.8 11.0 1.0 CA A:GLY52 4.9 18.1 1.0

O.Gerlits, M.J.Waltman, S.Taylor, P.Langan, A.Kovalevsky. Insights Into the Phosphoryl Transfer Catalyzed By Camp-Dependent Protein Kinase: An X-Ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20. Biochemistry V. 52 3721 2013.
ISSN: ISSN 0006-2960
PubMed: 23672593
DOI: 10.1021/BI400066A