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Magnesium in PDB 4hpt: Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide

Enzymatic activity of Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide

All present enzymatic activity of Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide:
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide, PDB code: 4hpt was solved by A.C.Bastidas, J.M.Steichen, J.Wu, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.35 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.545, 79.060, 80.090, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide (pdb code 4hpt). 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 the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide, PDB code: 4hpt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4hpt

Go back to Magnesium Binding Sites List in 4hpt
Magnesium binding site 1 out of 2 in the Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide


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 the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg402

b:21.8
occ:1.00
N3B E:ANP401 2.0 34.4 1.0
O2A E:ANP401 2.1 30.9 1.0
O I:HOH104 2.2 36.1 1.0
OD1 E:ASN171 2.2 21.8 1.0
O E:HOH520 2.3 25.5 1.0
OD2 E:ASP184 2.3 24.2 1.0
CG E:ASN171 3.2 22.7 1.0
CG E:ASP184 3.3 23.8 1.0
PB E:ANP401 3.3 37.1 1.0
PA E:ANP401 3.4 29.8 1.0
O E:HOH594 3.5 67.5 1.0
ND2 E:ASN171 3.6 22.9 1.0
CB E:ASP184 3.7 23.3 1.0
O1P I:SEP21 3.8 36.4 0.7
O3A E:ANP401 3.8 34.2 1.0
O1B E:ANP401 3.9 38.9 1.0
C5' E:ANP401 4.3 26.9 1.0
O5' E:ANP401 4.3 29.4 1.0
OD1 E:ASP184 4.4 23.4 1.0
O3' E:ANP401 4.4 25.4 1.0
O1A E:ANP401 4.4 31.3 1.0
MG E:MG403 4.4 57.8 1.0
OD1 E:ASP166 4.5 30.7 1.0
O I:HOH109 4.5 44.1 1.0
CE E:LYS168 4.5 24.0 1.0
O2B E:ANP401 4.5 39.6 1.0
CB E:ASN171 4.5 23.1 1.0
O2P I:SEP21 4.7 34.5 0.7
CA E:ASN171 4.8 23.5 1.0
O E:GLU170 4.8 23.9 1.0
C3' E:ANP401 4.9 26.0 1.0
P I:SEP21 4.9 38.9 0.7
NZ E:LYS168 4.9 25.4 1.0

Magnesium binding site 2 out of 2 in 4hpt

Go back to Magnesium Binding Sites List in 4hpt
Magnesium binding site 2 out of 2 in the Crystal Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide


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 the Catalytic Subunit of Camp-Dependent Protein Kinase Displaying Complete Phosphoryl Transfer of Amp-Pnp Onto A Substrate Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg403

b:57.8
occ:1.00
O1P I:SEP21 2.1 36.4 0.7
O1B E:ANP401 2.2 38.9 1.0
O E:HOH519 2.3 33.5 1.0
O I:HOH101 2.4 49.3 1.0
OD1 E:ASP184 2.5 23.4 1.0
OD2 E:ASP184 2.7 24.2 1.0
CG E:ASP184 3.0 23.8 1.0
P I:SEP21 3.3 38.9 0.7
O3P I:SEP21 3.4 37.5 0.7
O E:HOH587 3.5 40.1 1.0
PB E:ANP401 3.5 37.1 1.0
N3B E:ANP401 3.9 34.4 1.0
O I:HOH104 4.1 36.1 1.0
CA E:GLY186 4.1 23.6 1.0
OG I:SEP21 4.2 37.0 1.0
OD1 E:ASP166 4.3 30.7 1.0
O3A E:ANP401 4.4 34.2 1.0
NZ E:LYS72 4.4 27.8 1.0
MG E:MG402 4.4 21.8 1.0
N E:GLY186 4.5 24.0 1.0
CB E:ASP184 4.5 23.3 1.0
O2P I:SEP21 4.5 34.5 0.7
O2B E:ANP401 4.6 39.6 1.0
O E:HOH509 4.7 48.9 1.0
CB I:SEP21 4.8 35.0 1.0
C E:GLY186 4.9 23.9 1.0
CE2 E:PHE187 4.9 29.1 1.0
CZ E:PHE187 5.0 27.7 1.0

Reference:

A.C.Bastidas, M.S.Deal, J.M.Steichen, Y.Guo, J.Wu, S.S.Taylor. Phosphoryl Transfer By Protein Kinase A Is Captured in A Crystal Lattice. J.Am.Chem.Soc. V. 135 4788 2013.
ISSN: ISSN 0002-7863
PubMed: 23458248
DOI: 10.1021/JA312237Q
Page generated: Mon Dec 14 17:54:30 2020

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