Magnesium in PDB 4dh3: Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20

All present enzymatic activity of Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20:
2.7.11.11;

The structure of Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20, PDB code: 4dh3 was solved by A.Y.Kovalevsky, P.Langan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.900, 79.800, 98.510, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.3

The binding sites of Magnesium atom in the Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20 (pdb code 4dh3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20, PDB code: 4dh3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:31.6 occ:1.00 O A:HOH1003 2.1 33.4 1.0 O A:HOH1001 2.1 23.9 1.0 O3G A:ATP403 2.2 38.5 1.0 OD2 A:ASP184 2.4 19.6 1.0 O1B A:ATP403 2.4 38.6 1.0 OD1 A:ASP184 2.6 18.6 1.0 CG A:ASP184 2.8 20.4 1.0 O3B A:ATP403 2.8 38.6 1.0 PG A:ATP403 2.9 40.6 1.0 PB A:ATP403 3.1 36.9 1.0 O2G A:ATP403 3.5 36.1 1.0 CD2 A:PHE54 3.9 29.6 1.0 OD2 A:ASP166 4.1 26.0 1.0 MG A:MG402 4.1 39.7 1.0 O A:HOH1030 4.1 29.4 1.0 O2B A:ATP403 4.2 40.4 1.0 CE2 A:PHE54 4.3 26.2 1.0 O1G A:ATP403 4.3 36.4 1.0 O3A A:ATP403 4.3 36.2 1.0 CB A:ASP184 4.3 18.7 1.0 CA A:GLY186 4.4 28.0 1.0 O2A A:ATP403 4.5 31.8 1.0 NZ A:LYS72 4.5 27.8 1.0 N A:GLY186 4.7 28.6 1.0 PA A:ATP403 4.7 34.6 1.0 CB I:ALA21 4.8 32.5 1.0 O1A A:ATP403 4.9 30.4 1.0 O A:HOH1057 4.9 27.5 1.0

Magnesium binding site 2 out of 2 in the Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Atp and IP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:39.7 occ:1.00 O A:HOH1002 2.1 35.1 1.0 OD1 A:ASN171 2.3 28.8 1.0 O2A A:ATP403 2.4 31.8 1.0 OD2 A:ASP184 2.5 19.6 1.0 O2G A:ATP403 2.5 36.1 1.0 O3B A:ATP403 2.6 38.6 1.0 PG A:ATP403 3.2 40.6 1.0 CG A:ASN171 3.3 27.6 1.0 CG A:ASP184 3.6 20.4 1.0 ND2 A:ASN171 3.6 28.9 1.0 PA A:ATP403 3.7 34.6 1.0 PB A:ATP403 3.9 36.9 1.0 O3A A:ATP403 3.9 36.2 1.0 CE A:LYS168 3.9 21.9 1.0 CB A:ASP184 4.0 18.7 1.0 NZ A:LYS168 4.1 24.0 1.0 MG A:MG401 4.1 31.6 1.0 O1G A:ATP403 4.1 36.4 1.0 O I:HOH102 4.2 34.6 1.0 O3G A:ATP403 4.3 38.5 1.0 O3' A:ATP403 4.3 28.9 1.0 OD2 A:ASP166 4.5 26.0 1.0 C5' A:ATP403 4.5 31.3 1.0 O1B A:ATP403 4.5 38.6 1.0 O5' A:ATP403 4.6 32.9 1.0 CB A:ASN171 4.6 26.3 1.0 OD1 A:ASP184 4.7 18.6 1.0 O1A A:ATP403 4.8 30.4 1.0 O A:GLU170 4.9 23.9 1.0 C3' A:ATP403 4.9 28.6 1.0 CA A:ASN171 5.0 27.3 1.0

A.Y.Kovalevsky, H.Johnson, B.L.Hanson, M.J.Waltman, S.Z.Fisher, S.Taylor, P.Langan. Low- and Room-Temperature X-Ray Structures of Protein Kinase A Ternary Complexes Shed New Light on Its Activity. Acta Crystallogr.,Sect.D V. 68 854 2012.
ISSN: ISSN 0907-4449
PubMed: 22751671
DOI: 10.1107/S0907444912014886