Magnesium in PDB 4wb8: Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion

All present enzymatic activity of Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion:
2.7.11.11;

The structure of Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion, PDB code: 4wb8 was solved by J.Cheung, C.Ginter, M.Cassidy, M.C.Franklin, M.J.Rudolph, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.27 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.808, 75.864, 80.644, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 18.4

The binding sites of Magnesium atom in the Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion (pdb code 4wb8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion, PDB code: 4wb8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:13.8 occ:1.00 O2A A:ATP401 2.0 15.2 1.0 OD1 A:ASN171 2.0 12.8 1.0 O2G A:ATP401 2.0 13.1 1.0 O A:HOH974 2.1 15.3 1.0 OD2 A:ASP184 2.1 14.5 1.0 O3B A:ATP401 2.7 14.4 1.0 PG A:ATP401 3.0 14.5 1.0 CG A:ASN171 3.0 14.1 1.0 CG A:ASP184 3.1 16.2 1.0 PA A:ATP401 3.3 15.7 1.0 ND2 A:ASN171 3.5 15.1 1.0 CB A:ASP184 3.6 14.1 1.0 PB A:ATP401 3.7 15.0 1.0 O1G A:ATP401 3.8 14.3 1.0 O3A A:ATP401 3.8 14.8 1.0 MG A:MG403 3.9 14.7 1.0 CE A:LYS168 4.0 13.6 1.0 O1B A:ATP401 4.0 14.4 1.0 O3G A:ATP401 4.2 15.8 1.0 OD1 A:ASP184 4.2 15.2 1.0 NZ A:LYS168 4.2 14.3 1.0 O3' A:ATP401 4.2 15.7 1.0 O1A A:ATP401 4.3 17.3 1.0 OD2 A:ASP166 4.4 16.1 1.0 O5' A:ATP401 4.4 15.7 1.0 O I:HOH117 4.4 20.5 1.0 CB A:ASN171 4.4 12.8 1.0 C5' A:ATP401 4.5 16.1 1.0 CA A:ASN171 4.8 13.0 1.0 C3' A:ATP401 4.8 16.2 1.0 O A:HOH975 4.8 15.8 1.0 O A:GLU170 4.8 15.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), Exon 1 Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:14.7 occ:1.00 O1G A:ATP401 2.0 14.3 1.0 O A:HOH899 2.0 15.5 1.0 O1B A:ATP401 2.1 14.4 1.0 O A:HOH975 2.1 15.8 1.0 OD1 A:ASP184 2.2 15.2 1.0 OD2 A:ASP184 2.3 14.5 1.0 CG A:ASP184 2.5 16.2 1.0 PG A:ATP401 3.1 14.5 1.0 PB A:ATP401 3.2 15.0 1.0 O3B A:ATP401 3.3 14.4 1.0 O2G A:ATP401 3.7 13.1 1.0 MG A:MG402 3.9 13.8 1.0 CD2 A:PHE54 4.0 15.8 1.0 OD2 A:ASP166 4.0 16.1 1.0 CB A:ASP184 4.1 14.1 1.0 O A:HOH879 4.2 14.6 0.9 NZ A:LYS72 4.2 15.6 1.0 O2B A:ATP401 4.2 15.8 1.0 CE2 A:PHE54 4.3 14.0 1.0 O3A A:ATP401 4.3 14.8 1.0 CA A:GLY186 4.4 14.9 1.0 O3G A:ATP401 4.4 15.8 1.0 O2A A:ATP401 4.5 15.2 1.0 N A:GLY186 4.5 15.6 1.0 PA A:ATP401 4.6 15.7 1.0 O1A A:ATP401 4.7 17.3 1.0 CB I:ALA21 4.8 19.5 1.0 CA A:ASP184 4.8 14.3 1.0 O A:HOH598 4.9 19.0 1.0

J.Cheung, C.Ginter, M.Cassidy, M.C.Franklin, M.J.Rudolph, N.Robine, R.B.Darnell, W.A.Hendrickson. Structural Insights Into Mis-Regulation of Protein Kinase A in Human Tumors. Proc.Natl.Acad.Sci.Usa V. 112 1374 2015.
ISSN: ESSN 1091-6490
PubMed: 25605907
DOI: 10.1073/PNAS.1424206112