Magnesium in PDB 4dh5: Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20

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

The structure of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20, PDB code: 4dh5 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, 79.630, 99.490, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.2

The binding sites of Magnesium atom in the Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20 (pdb code 4dh5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20, PDB code: 4dh5:
Jump to Magnesium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:39.7 occ:1.00 O A:HOH1001 2.1 35.0 1.0 O3 A:PO4404 2.1 57.6 1.0 O1B A:ADP403 2.2 43.2 1.0 O A:HOH1003 2.3 48.2 1.0 OD2 A:ASP184 2.4 24.0 1.0 OD1 A:ASP184 2.7 26.9 1.0 CG A:ASP184 2.9 27.0 1.0 PB A:ADP403 3.3 42.8 1.0 O3B A:ADP403 3.4 38.8 1.0 P A:PO4404 3.5 58.1 1.0 MG A:MG402 3.9 30.5 1.0 O4 A:PO4404 3.9 57.8 1.0 CD2 A:PHE54 3.9 76.2 1.0 O A:HOH1056 4.0 39.6 1.0 CE2 A:PHE54 4.1 76.9 1.0 OD2 A:ASP166 4.2 26.2 1.0 O2B A:ADP403 4.2 44.0 1.0 CA A:GLY186 4.3 23.1 1.0 CB A:ASP184 4.4 22.6 1.0 O1 A:PO4404 4.4 58.8 1.0 O3A A:ADP403 4.5 38.7 1.0 O2 A:PO4404 4.6 58.2 1.0 N A:GLY186 4.6 24.1 1.0 NZ A:LYS72 4.6 27.1 1.0 O2A A:ADP403 4.8 38.0 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A Catalytic Subunit with High MG2+, Adp, Phosphate, and IP20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:30.5 occ:1.00 O4 A:PO4404 2.0 57.8 1.0 O A:HOH1002 2.1 44.9 1.0 OD2 A:ASP184 2.3 24.0 1.0 O3B A:ADP403 2.3 38.8 1.0 OD1 A:ASN171 2.4 21.7 1.0 O2A A:ADP403 2.4 38.0 1.0 P A:PO4404 3.1 58.1 1.0 CG A:ASP184 3.3 27.0 1.0 CG A:ASN171 3.4 23.3 1.0 O3 A:PO4404 3.4 57.6 1.0 PB A:ADP403 3.5 42.8 1.0 O2 A:PO4404 3.5 58.2 1.0 PA A:ADP403 3.6 37.0 1.0 O A:HOH1148 3.7 53.2 1.0 O1B A:ADP403 3.7 43.2 1.0 ND2 A:ASN171 3.7 20.3 1.0 O3A A:ADP403 3.7 38.7 1.0 CB A:ASP184 3.8 22.6 1.0 MG A:MG401 3.9 39.7 1.0 O A:HOH1084 4.0 53.5 1.0 O A:HOH1158 4.4 83.5 1.0 C5' A:ADP403 4.4 35.5 1.0 OD1 A:ASP184 4.4 26.9 1.0 O5' A:ADP403 4.5 39.1 1.0 O1A A:ADP403 4.5 36.1 1.0 O1 A:PO4404 4.6 58.8 1.0 O3' A:ADP403 4.6 32.8 1.0 CE A:LYS168 4.6 25.6 1.0 OD2 A:ASP166 4.6 26.2 1.0 CB A:ASN171 4.7 23.7 1.0 O2B A:ADP403 4.7 44.0 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