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Magnesium in PDB 4iaf: Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20

Enzymatic activity of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20

All present enzymatic activity of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20:
2.7.11.11;

Protein crystallography data

The structure of Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iaf was solved by O.Gerlits, A.Kovalevsky, 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 (°) 59.213, 79.901, 99.637, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 19.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20 (pdb code 4iaf). 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 in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iaf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4iaf

Go back to Magnesium Binding Sites List in 4iaf
Magnesium binding site 1 out of 2 in the Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20


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 in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:20.9
occ:1.00
 O1B A:ADP403 2.3 23.4 1.0
O1P S:SEP621 2.3 42.5 1.0
OD2 A:ASP184 2.3 16.7 1.0
O S:HOH1001 2.4 30.1 1.0
O A:HOH502 2.4 27.3 1.0
OD1 A:ASP184 2.4 19.0 1.0
CG A:ASP184 2.7 17.7 1.0
O3B A:ADP403 3.4 19.7 1.0
PB A:ADP403 3.4 23.1 1.0
O3P S:SEP621 3.5 46.9 1.0
P S:SEP621 3.5 48.1 1.0
MG A:MG402 3.7 21.8 1.0
O S:HOH1020 3.9 23.7 1.0
OD2 A:ASP166 4.1 19.2 1.0
NZ A:LYS72 4.2 15.4 1.0
CB A:ASP184 4.2 17.4 1.0
CA A:GLY186 4.2 16.0 1.0
O A:HOH529 4.3 25.4 1.0
O3A A:ADP403 4.3 21.1 1.0
O2P S:SEP621 4.4 46.0 1.0
N A:GLY186 4.5 17.7 1.0
O2A A:ADP403 4.5 18.2 1.0
O2B A:ADP403 4.5 25.9 1.0
OG S:SEP621 4.6 44.3 1.0
O S:HOH1025 4.6 47.1 0.5
O A:HOH732 4.6 62.5 1.0
PA A:ADP403 4.8 19.8 1.0
O1A A:ADP403 4.9 20.0 1.0
CB S:SEP621 4.9 36.8 1.0

Magnesium binding site 2 out of 2 in 4iaf

Go back to Magnesium Binding Sites List in 4iaf
Magnesium binding site 2 out of 2 in the Room Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20


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 in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:21.8
occ:1.00
 O A:HOH501 2.2 20.9 1.0
O3B A:ADP403 2.3 19.7 1.0
O S:HOH1020 2.3 23.7 1.0
OD2 A:ASP184 2.3 16.7 1.0
OD1 A:ASN171 2.3 19.1 1.0
O2A A:ADP403 2.3 18.2 1.0
CG A:ASN171 3.2 16.6 1.0
CG A:ASP184 3.4 17.7 1.0
ND2 A:ASN171 3.4 17.0 1.0
PB A:ADP403 3.6 23.1 1.0
O1P S:SEP621 3.6 42.5 1.0
PA A:ADP403 3.6 19.8 1.0
O S:HOH1019 3.6 66.3 1.0
MG A:MG401 3.7 20.9 1.0
O S:HOH1002 3.8 42.8 1.0
O3A A:ADP403 3.9 21.1 1.0
CB A:ASP184 3.9 17.4 1.0
O1B A:ADP403 3.9 23.4 1.0
CE A:LYS168 4.3 15.2 1.0
OD1 A:ASP184 4.3 19.0 1.0
OD2 A:ASP166 4.4 19.2 1.0
O1A A:ADP403 4.5 20.0 1.0
C5' A:ADP403 4.5 19.0 1.0
O2P S:SEP621 4.6 46.0 1.0
CB A:ASN171 4.6 16.6 1.0
NZ A:LYS168 4.6 15.8 1.0
O5' A:ADP403 4.6 20.1 1.0
O3' A:ADP403 4.7 20.5 1.0
O2B A:ADP403 4.7 25.9 1.0
P S:SEP621 4.8 48.1 1.0

Reference:

O.Gerlits, M.J.Waltman, S.Taylor, P.Langan, A.Kovalevsky. Insights Into the Phosphoryl Transfer Catalyzed By Camp-Dependent Protein Kinase: An X-Ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20. Biochemistry V. 52 3721 2013.
ISSN: ISSN 0006-2960
PubMed: 23672593
DOI: 10.1021/BI400066A
Page generated: Fri Aug 16 16:37:39 2024

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