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

Enzymatic activity of Low 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 Low 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 Low Temperature X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Adp and Phosphorylated Peptide PSP20, PDB code: 4iad 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 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.522, 79.535, 97.914, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 24.3

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 2 in 4iad

Go back to Magnesium Binding Sites List in 4iad
Magnesium binding site 1 out of 2 in the Low 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 Low 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:22.4
occ:1.00
 O1P S:SEP621 2.0 28.4 1.0
O1B A:ADP403 2.0 21.9 1.0
O S:HOH1001 2.1 22.7 1.0
O A:HOH502 2.2 21.6 1.0
OD2 A:ASP184 2.3 13.7 1.0
OD1 A:ASP184 2.3 18.9 1.0
CG A:ASP184 2.6 21.5 1.0
PB A:ADP403 3.2 22.8 1.0
P S:SEP621 3.3 42.5 1.0
O3B A:ADP403 3.4 18.1 1.0
O3P S:SEP621 3.5 65.0 1.0
O S:HOH1022 3.5 18.0 1.0
MG A:MG402 3.7 18.4 1.0
OD2 A:ASP166 4.1 22.0 1.0
CB A:ASP184 4.1 14.6 1.0
O A:HOH529 4.2 34.2 1.0
NZ A:LYS72 4.2 19.1 1.0
O2B A:ADP403 4.3 19.6 1.0
OG S:SEP621 4.3 33.2 1.0
O3A A:ADP403 4.3 19.1 1.0
CA A:GLY186 4.3 13.7 1.0
O2P S:SEP621 4.4 37.7 1.0
O2A A:ADP403 4.5 12.9 1.0
N A:GLY186 4.5 10.9 1.0
CB S:SEP621 4.7 30.4 1.0
O S:HOH1027 4.8 37.4 0.5
PA A:ADP403 4.8 17.5 1.0
CA A:ASP184 4.9 12.8 1.0
ND2 A:ASN171 5.0 19.3 1.0

Magnesium binding site 2 out of 2 in 4iad

Go back to Magnesium Binding Sites List in 4iad
Magnesium binding site 2 out of 2 in the Low 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 Low 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:18.4
occ:1.00
 O2A A:ADP403 2.0 12.9 1.0
OD2 A:ASP184 2.0 13.7 1.0
O3B A:ADP403 2.0 18.1 1.0
OD1 A:ASN171 2.0 16.0 1.0
O S:HOH1022 2.2 18.0 1.0
O A:HOH501 2.4 21.2 1.0
CG A:ASP184 3.0 21.5 1.0
CG A:ASN171 3.0 18.2 1.0
PB A:ADP403 3.2 22.8 1.0
PA A:ADP403 3.3 17.5 1.0
ND2 A:ASN171 3.4 19.3 1.0
CB A:ASP184 3.5 14.6 1.0
O1P S:SEP621 3.5 28.4 1.0
O S:HOH1026 3.6 37.6 0.5
O1B A:ADP403 3.7 21.9 1.0
O3A A:ADP403 3.7 19.1 1.0
MG A:MG401 3.7 22.4 1.0
OD1 A:ASP184 4.1 18.9 1.0
O1A A:ADP403 4.3 16.9 1.0
C5' A:ADP403 4.4 15.7 1.0
O3' A:ADP403 4.4 18.4 1.0
CB A:ASN171 4.4 18.3 1.0
O5' A:ADP403 4.4 17.7 1.0
OD2 A:ASP166 4.5 22.0 1.0
CE A:LYS168 4.5 18.3 1.0
O2B A:ADP403 4.6 19.6 1.0
O2P S:SEP621 4.7 37.7 1.0
O S:HOH1002 4.7 42.7 1.0
O A:HOH502 4.8 21.6 1.0
P S:SEP621 4.8 42.5 1.0
NZ A:LYS168 4.8 13.0 1.0
CA A:ASN171 4.8 13.3 1.0
C3' A:ADP403 4.9 20.5 1.0
O A:GLU170 4.9 15.7 1.0
CA A:ASP184 5.0 12.8 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 16:37:38 2024

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