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Magnesium in PDB 7ujx: Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data

Enzymatic activity of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data

All present enzymatic activity of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data:
2.7.11.11;

Protein crystallography data

The structure of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data, PDB code: 7ujx was solved by D.C.Wych, P.C.Aoto, M.E.Wall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.53 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.976, 79.744, 99.058, 90, 90, 90
R / Rfree (%) 12.8 / 17.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data (pdb code 7ujx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data, PDB code: 7ujx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7ujx

Go back to Magnesium Binding Sites List in 7ujx
Magnesium binding site 1 out of 2 in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg403

b:21.9
occ:1.00
O3 E:PO4402 2.0 26.1 1.0
O E:HOH565 2.1 14.4 1.0
O E:HOH526 2.1 6.6 0.5
OD2 E:ASP184 2.3 10.7 1.0
OD1 E:ASP184 2.4 11.7 1.0
O2B E:ADP401 2.4 14.5 1.0
CG E:ASP184 2.6 10.9 1.0
OD2 E:ASP166 3.0 32.8 0.5
P E:PO4402 3.2 20.8 1.0
O E:HOH876 3.3 83.8 1.0
HA3 E:GLY186 3.4 14.6 1.0
HE2 E:PHE54 3.4 59.5 1.0
PB E:ADP401 3.5 15.6 1.0
O1B E:ADP401 3.5 13.5 1.0
O2 E:PO4402 3.5 13.0 1.0
HD2 E:PHE54 3.6 90.8 1.0
OD2 E:ASP166 3.7 12.2 0.6
MG E:MG404 3.8 11.6 1.0
H E:GLY186 3.8 13.7 1.0
O1 E:PO4402 3.8 23.4 1.0
HZ3 E:LYS72 3.9 17.1 1.0
CE2 E:PHE54 4.1 49.5 1.0
CB E:ASP184 4.1 10.7 1.0
HD21 E:ASN171 4.1 13.7 1.0
CG E:ASP166 4.2 40.5 0.5
CD2 E:PHE54 4.2 75.7 1.0
CA E:GLY186 4.3 12.2 1.0
N E:GLY186 4.4 11.4 1.0
O4 E:PO4402 4.4 19.9 1.0
HB3 E:ASP184 4.4 12.8 1.0
O3B E:ADP401 4.5 16.7 1.0
HB2 E:ASP184 4.6 12.8 1.0
O E:HOH653 4.6 14.5 1.0
HZ1 E:LYS72 4.6 17.1 1.0
O3A E:ADP401 4.6 11.2 1.0
NZ E:LYS72 4.6 14.3 1.0
O1A E:ADP401 4.7 10.6 1.0
OD1 E:ASP166 4.8 8.5 0.5
ND2 E:ASN171 4.8 11.4 1.0
HA E:ASP184 4.8 10.8 1.0
HE2 E:PHE187 4.8 19.4 1.0
CE2 E:PHE187 4.9 16.2 1.0
CG E:ASP166 4.9 13.4 0.6
HZ2 E:LYS72 4.9 17.1 1.0
HA2 E:GLY186 4.9 14.6 1.0
CA E:ASP184 5.0 9.0 1.0
H E:PHE187 5.0 9.9 1.0
PA E:ADP401 5.0 10.3 1.0

Magnesium binding site 2 out of 2 in 7ujx

Go back to Magnesium Binding Sites List in 7ujx
Magnesium binding site 2 out of 2 in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg404

b:11.6
occ:1.00
O1A E:ADP401 2.0 10.6 1.0
OD2 E:ASP184 2.0 10.7 1.0
O1B E:ADP401 2.0 13.5 1.0
O E:HOH682 2.1 15.5 1.0
O2 E:PO4402 2.1 13.0 1.0
OD1 E:ASN171 2.1 10.3 1.0
CG E:ASP184 3.1 10.9 1.0
HD21 E:ASN171 3.1 13.7 1.0
CG E:ASN171 3.1 13.7 1.0
PB E:ADP401 3.3 15.6 1.0
HB2 E:ASP184 3.3 12.8 1.0
PA E:ADP401 3.3 10.3 1.0
P E:PO4402 3.3 20.8 1.0
H5'2 E:ADP401 3.4 8.1 1.0
ND2 E:ASN171 3.5 11.4 1.0
O E:HOH510 3.5 106.2 1.0
O3 E:PO4402 3.5 26.1 1.0
O3A E:ADP401 3.6 11.2 1.0
CB E:ASP184 3.6 10.7 1.0
O2B E:ADP401 3.8 14.5 1.0
MG E:MG403 3.8 21.9 1.0
HB3 E:ASP184 3.9 12.8 1.0
O E:HOH506 3.9 64.6 0.6
O4 E:PO4402 4.0 19.9 1.0
OD1 E:ASP184 4.1 11.7 1.0
O I:HOH119 4.1 23.6 1.0
HE3 E:LYS168 4.2 12.1 0.5
H3' E:ADP401 4.2 18.7 1.0
HE3 E:LYS168 4.3 12.4 0.6
C5' E:ADP401 4.3 6.8 1.0
O5' E:ADP401 4.3 11.6 1.0
HD22 E:ASN171 4.3 13.7 1.0
HA E:ASN171 4.4 17.8 1.0
O2A E:ADP401 4.4 18.5 1.0
O1 E:PO4402 4.4 23.4 1.0
CB E:ASN171 4.5 10.4 1.0
O3' E:ADP401 4.5 18.9 1.0
HA3 E:GLY52 4.5 83.3 1.0
O3B E:ADP401 4.5 16.7 1.0
OD2 E:ASP166 4.7 32.8 0.5
HE2 E:LYS168 4.7 12.4 0.6
HE2 E:LYS168 4.7 12.1 0.5
HZ1 E:LYS168 4.7 16.2 0.5
HB3 E:ASN171 4.8 12.5 1.0
HZ1 E:LYS168 4.8 16.0 0.6
C3' E:ADP401 4.8 15.6 1.0
OD2 E:ASP166 4.8 12.2 0.6
O E:GLU170 4.9 13.8 1.0
CA E:ASN171 4.9 14.9 1.0
CE E:LYS168 4.9 10.1 0.5
CE E:LYS168 4.9 10.3 0.6
HG23 E:THR183 4.9 12.4 1.0

Reference:

D.C.Wych, P.C.Aoto, L.T.Vu, A.M.Wolff, D.L.Mobley, J.S.Fraser, S.S.Taylor, M.E.Wall. Molecular Dynamics Simulation Methods For Macromolecular Crystallography To Be Published.
Page generated: Thu Oct 3 10:07:14 2024

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