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Magnesium in PDB 4iac: X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20

Enzymatic activity of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20

All present enzymatic activity of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20:
2.7.11.11;

Protein crystallography data

The structure of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20, PDB code: 4iac 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 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.809, 79.678, 97.954, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20 (pdb code 4iac). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20, PDB code: 4iac:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4iac

Go back to Magnesium Binding Sites List in 4iac
Magnesium binding site 1 out of 2 in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:17.7
occ:1.00
 O A:HOH1001 2.2 10.7 1.0
O A:HOH1003 2.2 10.4 1.0
O1B A:ACP403 2.2 16.0 1.0
O3G A:ACP403 2.3 14.2 1.0
OD2 A:ASP184 2.3 13.0 1.0
OD1 A:ASP184 2.4 12.5 1.0
CG A:ASP184 2.7 12.1 1.0
PG A:ACP403 3.4 15.9 1.0
PB A:ACP403 3.5 18.3 1.0
O2G A:ACP403 3.8 15.6 1.0
O A:HOH1029 4.0 18.8 1.0
C3B A:ACP403 4.0 16.0 1.0
MG A:MG402 4.0 18.3 1.0
O A:HOH1276 4.0 25.3 1.0
OG S:SER621 4.1 17.7 1.0
OD2 A:ASP166 4.1 13.0 1.0
CB A:ASP184 4.2 10.2 1.0
CA A:GLY186 4.3 12.4 1.0
NZ A:LYS72 4.3 13.0 1.0
O2B A:ACP403 4.4 19.8 1.0
N A:GLY186 4.5 11.8 1.0
O3A A:ACP403 4.5 17.0 1.0
O2A A:ACP403 4.6 15.0 1.0
O1G A:ACP403 4.6 18.1 1.0
CB S:SER621 4.7 17.5 1.0
PA A:ACP403 4.9 16.5 1.0
O1A A:ACP403 4.9 16.0 1.0
CA A:ASP184 5.0 10.5 1.0

Magnesium binding site 2 out of 2 in 4iac

Go back to Magnesium Binding Sites List in 4iac
Magnesium binding site 2 out of 2 in the X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Camp Dependent Protein Kinase A in Complex with High MG2+ Concentration, Amp-Pcp and Pseudo-Substrate Peptide SP20 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:18.3
occ:1.00
 O2A A:ACP403 2.2 15.0 1.0
OD1 A:ASN171 2.2 15.7 1.0
O2G A:ACP403 2.2 15.6 1.0
OD2 A:ASP184 2.2 13.0 1.0
O A:HOH1002 2.3 16.9 1.0
PG A:ACP403 3.2 15.9 1.0
CG A:ASN171 3.2 15.5 1.0
CG A:ASP184 3.2 12.1 1.0
C3B A:ACP403 3.3 16.0 1.0
ND2 A:ASN171 3.5 15.3 1.0
PA A:ACP403 3.5 16.5 1.0
CB A:ASP184 3.6 10.2 1.0
CE A:LYS168 3.8 12.6 1.0
O1B A:ACP403 3.8 16.0 1.0
O3G A:ACP403 3.8 14.2 1.0
MG A:MG401 4.0 17.7 1.0
PB A:ACP403 4.0 18.3 1.0
NZ A:LYS168 4.0 14.8 1.0
O3A A:ACP403 4.1 17.0 1.0
O S:HOH702 4.3 11.5 1.0
OD2 A:ASP166 4.3 13.0 1.0
OD1 A:ASP184 4.3 12.5 1.0
O1G A:ACP403 4.4 18.1 1.0
O1A A:ACP403 4.4 16.0 1.0
O3' A:ACP403 4.5 17.0 1.0
CB A:ASN171 4.5 14.4 1.0
O5' A:ACP403 4.6 17.4 1.0
C5' A:ACP403 4.7 15.5 1.0
O A:HOH1003 4.7 10.4 1.0
CA A:ASN171 4.9 13.8 1.0
O A:HOH1271 4.9 17.4 1.0
O A:GLU170 4.9 11.1 1.0
O S:HOH727 4.9 20.5 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 16:37:37 2024

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