Magnesium in PDB 4wb5: Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit)

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

The structure of Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit), PDB code: 4wb5 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)	36.59 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.178, 75.091, 80.716, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.6

The binding sites of Magnesium atom in the Crystal Structure of Human Camp-Dependent Protein Kinase A (Catalytic Alpha Subunit) (pdb code 4wb5). 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), PDB code: 4wb5:
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)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:18.6 occ:1.00 O1A A:ATP401 1.9 20.9 1.0 O2G A:ATP401 2.0 18.2 0.8 OD2 A:ASP184 2.1 18.3 1.0 OD1 A:ASN171 2.1 19.6 1.0 O A:HOH691 2.1 18.6 1.0 O3B A:ATP401 2.3 22.8 1.0 PG A:ATP401 2.8 31.8 0.8 CG A:ASP184 3.1 17.9 1.0 CG A:ASN171 3.1 16.4 1.0 PA A:ATP401 3.3 21.9 1.0 PB A:ATP401 3.4 23.8 1.0 ND2 A:ASN171 3.5 17.7 1.0 CB A:ASP184 3.6 18.5 1.0 O3A A:ATP401 3.6 22.3 1.0 O3G A:ATP401 3.7 20.3 0.8 MG A:MG403 3.8 22.2 1.0 O2B A:ATP401 3.9 21.4 1.0 O1G A:ATP401 4.1 24.8 0.8 OD1 A:ASP184 4.2 18.7 1.0 O A:HOH843 4.2 53.4 1.0 O2A A:ATP401 4.3 23.5 1.0 O5' A:ATP401 4.3 21.3 1.0 C5' A:ATP401 4.4 19.1 1.0 CE A:LYS168 4.4 19.4 1.0 O3' A:ATP401 4.4 19.8 1.0 O I:HOH116 4.5 31.7 1.0 CB A:ASN171 4.5 14.8 1.0 OD2 A:ASP166 4.6 21.4 1.0 NZ A:LYS168 4.7 20.5 1.0 O1B A:ATP401 4.8 28.3 1.0 CA A:ASN171 4.9 17.2 1.0 C3' A:ATP401 4.9 21.7 1.0 O A:HOH577 4.9 24.4 1.0 O A:GLU170 4.9 22.1 1.0

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


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:22.2 occ:1.00 O3G A:ATP401 1.9 20.3 0.8 O A:HOH580 2.0 26.2 1.0 O2B A:ATP401 2.1 21.4 1.0 O A:HOH577 2.2 24.4 1.0 OD2 A:ASP184 2.2 18.3 1.0 OD1 A:ASP184 2.3 18.7 1.0 CG A:ASP184 2.6 17.9 1.0 PG A:ATP401 3.0 31.8 0.8 PB A:ATP401 3.2 23.8 1.0 O3B A:ATP401 3.3 22.8 1.0 O2G A:ATP401 3.7 18.2 0.8 MG A:MG402 3.8 18.6 1.0 CD2 A:PHE54 4.0 36.5 1.0 OD2 A:ASP166 4.0 21.4 1.0 CB A:ASP184 4.1 18.5 1.0 O1B A:ATP401 4.2 28.3 1.0 O A:HOH582 4.2 23.1 0.9 NZ A:LYS72 4.2 18.1 1.0 O A:HOH843 4.2 53.4 1.0 O3A A:ATP401 4.3 22.3 1.0 CE2 A:PHE54 4.3 34.6 1.0 O1G A:ATP401 4.3 24.8 0.8 CA A:GLY186 4.3 18.1 1.0 N A:GLY186 4.5 17.1 1.0 O1A A:ATP401 4.6 20.9 1.0 PA A:ATP401 4.8 21.9 1.0 CA A:ASP184 4.9 16.6 1.0 O A:HOH584 4.9 27.4 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