Barium in PDB 4iaz: Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20

All present enzymatic activity of Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20:
2.7.11.11;

The structure of Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iaz 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 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.288, 79.648, 98.709, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.8

The binding sites of Barium atom in the Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20 (pdb code 4iaz). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iaz:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba401 b:20.8 occ:1.00 O1B A:ADP403 2.4 48.1 1.0 O1P S:SEP621 2.7 20.1 1.0 OD2 A:ASP184 2.7 15.5 1.0 O A:HOH1003 2.8 19.4 1.0 O A:HOH1004 2.8 22.8 1.0 O A:HOH1005 2.8 25.1 1.0 O S:HOH703 2.9 28.2 1.0 OD1 A:ASP184 2.9 18.0 1.0 CG A:ASP184 3.2 20.0 1.0 PB A:ADP403 3.7 29.3 1.0 P S:SEP621 4.0 22.8 1.0 O3P S:SEP621 4.0 25.7 1.0 O3B A:ADP403 4.0 39.5 1.0 O S:HOH702 4.3 20.5 1.0 CA A:GLY186 4.3 19.8 1.0 BA A:BA402 4.4 21.0 1.0 O2B A:ADP403 4.4 26.5 1.0 CB A:ASP184 4.7 15.9 1.0 NZ A:LYS72 4.7 30.6 1.0 O A:HOH1213 4.7 34.8 1.0 N A:GLY186 4.7 16.1 1.0 OD2 A:ASP166 4.8 17.0 1.0 O A:HOH1006 4.8 40.2 1.0 O S:HOH704 4.9 41.8 1.0 O A:HOH1180 4.9 49.3 1.0 OG S:SEP621 4.9 22.6 1.0 O2P S:SEP621 4.9 26.5 1.0 O3A A:ADP403 4.9 22.6 1.0

Barium binding site 2 out of 2 in the Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Structure of Camp Dependent Protein Kinase A in Complex with High BA2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba402 b:21.0 occ:1.00 O3B A:ADP403 2.2 39.5 1.0 O2A A:ADP403 2.5 17.6 1.0 OD2 A:ASP184 2.7 15.5 1.0 O A:HOH1002 2.8 23.6 1.0 O S:HOH702 2.9 20.5 1.0 OD1 A:ASN171 2.9 19.7 1.0 O S:HOH701 3.1 30.5 1.0 O A:HOH1007 3.2 29.4 1.0 PB A:ADP403 3.5 29.3 1.0 CG A:ASP184 3.7 20.0 1.0 O1B A:ADP403 3.8 48.1 1.0 PA A:ADP403 3.8 17.7 1.0 O1P S:SEP621 3.9 20.1 1.0 CG A:ASN171 3.9 16.4 1.0 O A:HOH1001 4.0 31.3 1.0 ND2 A:ASN171 4.1 21.4 1.0 CB A:ASP184 4.2 15.9 1.0 O3A A:ADP403 4.2 22.6 1.0 BA A:BA401 4.4 20.8 1.0 O S:HOH723 4.5 43.5 1.0 NZ A:LYS168 4.5 10.4 1.0 O S:HOH704 4.5 41.8 1.0 CE A:LYS168 4.5 11.7 1.0 OD1 A:ASP184 4.7 18.0 1.0 O1A A:ADP403 4.8 21.4 1.0 O2P S:SEP621 4.8 26.5 1.0 O2B A:ADP403 4.8 26.5 1.0 C5' A:ADP403 4.8 23.6 1.0 OD2 A:ASP166 4.9 17.0 1.0 O5' A:ADP403 4.9 22.1 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