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Magnesium in PDB 1l3r: Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase

Enzymatic activity of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase

All present enzymatic activity of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase:
2.7.1.37;

Protein crystallography data

The structure of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase, PDB code: 1l3r was solved by Madhusudan, P.Akamine, N.-H.Xuong, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.680, 75.700, 80.550, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 23.2

Other elements in 1l3r:

The structure of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Aluminium (Al) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase (pdb code 1l3r). 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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase, PDB code: 1l3r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1l3r

Go back to Magnesium Binding Sites List in 1l3r
Magnesium binding site 1 out of 2 in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase


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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg391

b:27.1
occ:1.00
F2 E:AF3400 2.0 24.1 1.0
O E:HOH576 2.1 17.9 1.0
O2B E:ADP381 2.1 21.0 1.0
OD1 E:ASP184 2.2 21.4 1.0
OD2 E:ASP184 2.3 17.4 1.0
O E:HOH577 2.4 19.8 1.0
CG E:ASP184 2.6 24.2 1.0
O3B E:ADP381 3.2 19.0 1.0
PB E:ADP381 3.3 25.5 1.0
AL E:AF3400 3.3 25.0 1.0
MG E:MG392 3.9 19.1 1.0
OD1 E:ASP166 3.9 25.0 1.0
CD2 E:PHE54 4.0 23.0 1.0
F1 E:AF3400 4.0 22.7 1.0
O1B E:ADP381 4.1 23.1 1.0
NZ E:LYS72 4.1 21.4 1.0
CB E:ASP184 4.1 21.6 1.0
CA E:GLY186 4.2 21.7 1.0
O E:HOH426 4.2 19.1 1.0
O3A E:ADP381 4.3 22.2 1.0
N E:GLY186 4.3 19.3 1.0
CE2 E:PHE54 4.3 22.3 1.0
OG I:SER21 4.4 17.5 1.0
O2A E:ADP381 4.4 22.4 1.0
PA E:ADP381 4.6 22.4 1.0
O1A E:ADP381 4.7 21.7 1.0
O E:HOH415 4.7 24.2 1.0
CA E:ASP184 4.9 20.9 1.0
F3 E:AF3400 4.9 30.0 1.0
O E:ASP184 4.9 20.4 1.0
C E:ASP184 4.9 20.9 1.0
C E:GLY186 5.0 21.5 1.0

Magnesium binding site 2 out of 2 in 1l3r

Go back to Magnesium Binding Sites List in 1l3r
Magnesium binding site 2 out of 2 in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase


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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg392

b:19.1
occ:1.00
O2A E:ADP381 1.9 22.4 1.0
F1 E:AF3400 2.0 22.7 1.0
OD2 E:ASP184 2.0 17.4 1.0
O3B E:ADP381 2.1 19.0 1.0
OD1 E:ASN171 2.1 18.8 1.0
O E:HOH578 2.2 21.8 1.0
AL E:AF3400 3.0 25.0 1.0
CG E:ASN171 3.1 20.4 1.0
CG E:ASP184 3.1 24.2 1.0
PA E:ADP381 3.2 22.4 1.0
PB E:ADP381 3.3 25.5 1.0
ND2 E:ASN171 3.4 20.0 1.0
O3A E:ADP381 3.5 22.2 1.0
CB E:ASP184 3.6 21.6 1.0
O2B E:ADP381 3.6 21.0 1.0
MG E:MG391 3.9 27.1 1.0
F2 E:AF3400 3.9 24.1 1.0
OD1 E:ASP184 4.1 21.4 1.0
O1A E:ADP381 4.1 21.7 1.0
O5' E:ADP381 4.2 21.4 1.0
F3 E:AF3400 4.3 30.0 1.0
CE E:LYS168 4.4 18.3 1.0
O3' E:ADP381 4.4 24.2 1.0
C5' E:ADP381 4.4 20.6 1.0
CB E:ASN171 4.5 18.8 1.0
O I:HOH444 4.5 25.3 1.0
O1B E:ADP381 4.5 23.1 1.0
OD1 E:ASP166 4.6 25.0 1.0
OG I:SER21 4.6 17.5 1.0
NZ E:LYS168 4.7 16.9 1.0
C3' E:ADP381 4.8 22.0 1.0
CA E:ASN171 4.9 19.7 1.0
CA E:GLY52 5.0 23.6 1.0
O E:HOH577 5.0 19.8 1.0

Reference:

Madhusudan, P.Akamine, N.H.Xuong, S.S.Taylor. Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase. Nat.Struct.Biol. V. 9 273 2002.
ISSN: ISSN 1072-8368
PubMed: 11896404
DOI: 10.1038/NSB780
Page generated: Tue Aug 13 08:25:55 2024

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