Manganese in PDB 3fjq: Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25)

All present enzymatic activity of Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25):
2.7.11.11;

The structure of Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25), PDB code: 3fjq was solved by C.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.517, 80.548, 97.622, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.5

The binding sites of Manganese atom in the Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25) (pdb code 3fjq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25), PDB code: 3fjq:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn401 b:2.0 occ:1.00 O E:HOH661 2.1 15.1 1.0 O3G E:ATP403 2.1 17.0 1.0 O1B E:ATP403 2.2 14.9 1.0 O E:HOH662 2.2 18.7 1.0 OD2 E:ASP184 2.3 8.9 1.0 OD1 E:ASP184 2.4 12.7 1.0 CG E:ASP184 2.7 13.8 1.0 PG E:ATP403 3.2 16.6 1.0 PB E:ATP403 3.3 15.9 1.0 O3B E:ATP403 3.4 15.0 1.0 O2G E:ATP403 3.8 16.6 1.0 CD2 E:PHE54 3.9 15.6 1.0 MN E:MN402 4.0 2.0 1.0 OD2 E:ASP166 4.1 20.9 1.0 O E:HOH431 4.2 21.1 1.0 CB E:ASP184 4.2 14.7 1.0 CE2 E:PHE54 4.2 15.0 1.0 NZ E:LYS72 4.3 18.7 1.0 CA E:GLY186 4.3 15.3 1.0 O2B E:ATP403 4.3 17.2 1.0 O3A E:ATP403 4.4 15.3 1.0 O1G E:ATP403 4.5 15.9 1.0 N E:GLY186 4.5 15.0 1.0 O2A E:ATP403 4.6 16.3 1.0 PA E:ATP403 4.8 15.3 1.0 CB I:ALA21 4.8 21.8 1.0 O1A E:ATP403 4.9 14.9 1.0 O E:HOH419 4.9 20.0 1.0 CG E:PHE54 5.0 16.1 1.0 CA E:ASP184 5.0 15.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Camp-Dependent Protein Kinase Catalytic Subunit Alpha in Complex with Peptide Inhibitor Pki Alpha (6-25) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn402 b:2.0 occ:1.00 O2A E:ATP403 2.1 16.3 1.0 OD1 E:ASN171 2.1 13.3 1.0 O2G E:ATP403 2.2 16.6 1.0 OD2 E:ASP184 2.2 8.9 1.0 O E:HOH418 2.2 15.4 1.0 O3B E:ATP403 2.6 15.0 1.0 PG E:ATP403 2.9 16.6 1.0 CG E:ASN171 3.1 14.6 1.0 CG E:ASP184 3.2 13.8 1.0 PA E:ATP403 3.4 15.3 1.0 ND2 E:ASN171 3.5 14.4 1.0 CB E:ASP184 3.6 14.7 1.0 PB E:ATP403 3.7 15.9 1.0 O3G E:ATP403 3.7 17.0 1.0 O3A E:ATP403 3.8 15.3 1.0 O1B E:ATP403 3.9 14.9 1.0 MN E:MN401 4.0 2.0 1.0 CE E:LYS168 4.1 16.8 1.0 O1G E:ATP403 4.2 15.9 1.0 OD1 E:ASP184 4.3 12.7 1.0 O3' E:ATP403 4.3 16.6 1.0 NZ E:LYS168 4.3 17.1 1.0 O1A E:ATP403 4.3 14.9 1.0 OD2 E:ASP166 4.4 20.9 1.0 O5' E:ATP403 4.4 15.3 1.0 CB E:ASN171 4.5 14.9 1.0 O I:HOH193 4.5 25.9 1.0 C5' E:ATP403 4.6 15.8 1.0 CA E:ASN171 4.8 15.0 1.0 C3' E:ATP403 4.8 17.0 1.0 O E:GLU170 4.9 15.5 1.0

E.E.Thompson, A.P.Kornev, N.Kannan, C.Kim, L.F.Ten Eyck, S.S.Taylor. Comparative Surface Geometry of the Protein Kinase Family. Protein Sci. V. 18 2016 2009.
ISSN: ISSN 0961-8368
PubMed: 19610074
DOI: 10.1002/PRO.209