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Magnesium in PDB 7pqp: Tau-Microtubule Structural Ensemble Based on Cryoem Data

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Tau-Microtubule Structural Ensemble Based on Cryoem Data (pdb code 7pqp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Tau-Microtubule Structural Ensemble Based on Cryoem Data, PDB code: 7pqp:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 7pqp

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Magnesium binding site 1 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:0.0
occ:1.00
 O1B B:GTP501 2.0 0.0 1.0
OD1 B:ASP69 2.0 0.0 1.0
O3G B:GTP501 2.0 0.0 1.0
O2G B:GTP501 2.2 0.0 1.0
OD2 B:ASP69 2.4 0.0 1.0
OD1 B:ASP98 2.4 0.0 1.0
CG B:ASP69 2.5 0.0 1.0
PG B:GTP501 2.5 0.0 1.0
PB B:GTP501 3.0 0.0 1.0
CG B:ASP98 3.1 0.0 1.0
O3B B:GTP501 3.2 0.0 1.0
OG1 B:THR145 3.6 0.0 1.0
OD2 B:ASP98 3.7 0.0 1.0
O1G B:GTP501 3.9 0.0 1.0
O2B B:GTP501 4.0 0.0 1.0
CB B:THR145 4.0 0.0 1.0
CB B:ASP69 4.0 0.0 1.0
CB B:ASP98 4.1 0.0 1.0
N B:GLN11 4.2 0.0 1.0
O3A B:GTP501 4.2 0.0 1.0
N B:LEU70 4.3 0.0 1.0
CA B:GLY10 4.3 0.0 1.0
NZ A:LYS252 4.6 0.0 1.0
CA B:ASP98 4.7 0.0 1.0
CA B:ASP69 4.7 0.0 1.0
C B:GLY10 4.7 0.0 1.0
O2A B:GTP501 4.7 0.0 1.0
N B:ALA99 4.7 0.0 1.0
N B:THR145 4.8 0.0 1.0
C B:ASP69 4.9 0.0 1.0
N B:GLU71 4.9 0.0 1.0
CG2 B:THR145 4.9 0.0 1.0
PA B:GTP501 5.0 0.0 1.0
CB B:GLN11 5.0 0.0 1.0

Magnesium binding site 2 out of 7 in 7pqp

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Magnesium binding site 2 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:0.0
occ:1.00
 O3G D:GTP501 1.9 0.0 1.0
O2G D:GTP501 1.9 0.0 1.0
O1B D:GTP501 1.9 0.0 1.0
OD1 D:ASP98 1.9 0.0 1.0
PG D:GTP501 2.4 0.0 1.0
OD2 D:ASP98 2.5 0.0 1.0
CG D:ASP98 2.5 0.0 1.0
PB D:GTP501 3.0 0.0 1.0
O3B D:GTP501 3.2 0.0 1.0
NZ C:LYS252 3.3 0.0 1.0
OG1 D:THR145 3.7 0.0 1.0
O1G D:GTP501 3.7 0.0 1.0
CE C:LYS252 4.0 0.0 1.0
N D:ALA100 4.0 0.0 1.0
CB D:ASP98 4.0 0.0 1.0
O2B D:GTP501 4.1 0.0 1.0
O3A D:GTP501 4.2 0.0 1.0
OD1 D:ASP69 4.3 0.0 1.0
N D:ALA99 4.5 0.0 1.0
CB D:THR145 4.5 0.0 1.0
CA D:ALA100 4.7 0.0 1.0
CA D:ASP98 4.7 0.0 1.0
CB D:GLU71 4.7 0.0 1.0
N D:ASN101 4.9 0.0 1.0
OD2 D:ASP69 4.9 0.0 1.0
C D:ALA99 4.9 0.0 1.0
N D:THR145 4.9 0.0 1.0
CB D:ALA99 5.0 0.0 1.0
C D:ASP98 5.0 0.0 1.0
CA D:ALA99 5.0 0.0 1.0

Magnesium binding site 3 out of 7 in 7pqp

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Magnesium binding site 3 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg502

b:0.0
occ:1.00
 OD1 F:ASP98 1.9 0.0 1.0
OD1 F:ASP69 1.9 0.0 1.0
OD2 F:ASP69 2.0 0.0 1.0
O3G F:GTP501 2.0 0.0 1.0
O2G F:GTP501 2.2 0.0 1.0
CG F:ASP69 2.4 0.0 1.0
PG F:GTP501 2.6 0.0 1.0
O1B F:GTP501 2.6 0.0 1.0
CG F:ASP98 3.0 0.0 1.0
OD2 F:ASP98 3.4 0.0 1.0
OG1 F:THR145 3.4 0.0 1.0
O3B F:GTP501 3.4 0.0 1.0
PB F:GTP501 3.5 0.0 1.0
CB F:THR145 3.8 0.0 1.0
CB F:ASP69 3.9 0.0 1.0
O1G F:GTP501 3.9 0.0 1.0
CB F:GLU71 4.2 0.0 1.0
O3A F:GTP501 4.2 0.0 1.0
N F:GLU71 4.3 0.0 1.0
N F:ALA99 4.3 0.0 1.0
CB F:ASP98 4.3 0.0 1.0
N F:LEU70 4.4 0.0 1.0
NZ E:LYS252 4.5 0.0 1.0
CA F:ASP69 4.6 0.0 1.0
N F:THR145 4.6 0.0 1.0
CG2 F:THR145 4.8 0.0 1.0
O2B F:GTP501 4.8 0.0 1.0
CA F:THR145 4.8 0.0 1.0
CA F:ASP98 4.8 0.0 1.0
C F:ASP69 4.9 0.0 1.0
CA F:GLU71 4.9 0.0 1.0

Magnesium binding site 4 out of 7 in 7pqp

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Magnesium binding site 4 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg502

b:0.0
occ:1.00
 OD1 H:ASP98 1.9 0.0 1.0
OD1 H:ASP69 2.0 0.0 1.0
OD2 H:ASP69 2.0 0.0 1.0
O2G H:GTP501 2.1 0.0 1.0
O3G H:GTP501 2.3 0.0 1.0
O1B H:GTP501 2.4 0.0 1.0
CG H:ASP69 2.4 0.0 1.0
PG H:GTP501 2.6 0.0 1.0
CG H:ASP98 3.0 0.0 1.0
PB H:GTP501 3.3 0.0 1.0
O3B H:GTP501 3.4 0.0 1.0
OG1 H:THR145 3.5 0.0 1.0
OD2 H:ASP98 3.7 0.0 1.0
CB H:ASP69 3.9 0.0 1.0
O2B H:GTP501 3.9 0.0 1.0
O1G H:GTP501 4.0 0.0 1.0
CB H:ASP98 4.0 0.0 1.0
CB H:THR145 4.1 0.0 1.0
N H:GLN11 4.5 0.0 1.0
N H:LEU70 4.5 0.0 1.0
CA H:ASP98 4.6 0.0 1.0
N H:ALA99 4.6 0.0 1.0
O3A H:GTP501 4.7 0.0 1.0
CA H:ASP69 4.7 0.0 1.0
N H:THR145 4.7 0.0 1.0
CA H:GLY10 4.8 0.0 1.0
NZ G:LYS252 4.8 0.0 1.0

Magnesium binding site 5 out of 7 in 7pqp

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Magnesium binding site 5 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg502

b:0.0
occ:1.00
 O1B J:GTP501 1.8 0.0 1.0
OD2 J:ASP69 1.9 0.0 1.0
O2G J:GTP501 1.9 0.0 1.0
OD1 J:ASP98 1.9 0.0 1.0
OD1 J:ASP69 1.9 0.0 1.0
OD2 J:ASP98 2.0 0.0 1.0
CG J:ASP98 2.4 0.0 1.0
CG J:ASP69 2.4 0.0 1.0
PG J:GTP501 3.0 0.0 1.0
PB J:GTP501 3.1 0.0 1.0
O3B J:GTP501 3.3 0.0 1.0
OG1 J:THR145 3.4 0.0 1.0
O3G J:GTP501 3.5 0.0 1.0
CB J:THR145 3.7 0.0 1.0
CB J:ASP98 3.8 0.0 1.0
CB J:ASP69 3.9 0.0 1.0
O2B J:GTP501 4.0 0.0 1.0
CG J:GLN11 4.0 0.0 1.0
N J:LEU70 4.1 0.0 1.0
O3A J:GTP501 4.2 0.0 1.0
NE2 J:GLN11 4.2 0.0 1.0
N J:GLU71 4.3 0.0 1.0
O1G J:GTP501 4.3 0.0 1.0
CG2 J:THR145 4.4 0.0 1.0
CA J:ASP98 4.4 0.0 1.0
CA J:GLY10 4.6 0.0 1.0
N J:GLN11 4.6 0.0 1.0
CD J:GLN11 4.6 0.0 1.0
CA J:ASP69 4.7 0.0 1.0
N J:ALA99 4.7 0.0 1.0
CB J:GLU71 4.7 0.0 1.0
NZ I:LYS252 4.8 0.0 1.0
C J:ASP69 4.8 0.0 1.0
CA J:LEU70 4.8 0.0 1.0
CA J:THR145 5.0 0.0 1.0
CB J:LEU70 5.0 0.0 1.0
C J:LEU70 5.0 0.0 1.0

Magnesium binding site 6 out of 7 in 7pqp

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Magnesium binding site 6 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg502

b:0.0
occ:1.00
 OD1 L:ASP98 1.9 0.0 1.0
O3G L:GTP501 1.9 0.0 1.0
O1B L:GTP501 1.9 0.0 1.0
OD2 L:ASP69 2.0 0.0 1.0
OD1 L:ASP69 2.1 0.0 1.0
CG L:ASP69 2.5 0.0 1.0
CG L:ASP98 3.0 0.0 1.0
PG L:GTP501 3.1 0.0 1.0
PB L:GTP501 3.2 0.0 1.0
O3B L:GTP501 3.4 0.0 1.0
O2G L:GTP501 3.6 0.0 1.0
OD2 L:ASP98 3.7 0.0 1.0
CB L:ASP98 3.9 0.0 1.0
NZ K:LYS252 4.0 0.0 1.0
CB L:ASP69 4.0 0.0 1.0
O3A L:GTP501 4.1 0.0 1.0
OG1 L:THR145 4.2 0.0 1.0
N L:GLN11 4.2 0.0 1.0
OE2 L:GLU71 4.3 0.0 1.0
O2B L:GTP501 4.4 0.0 1.0
O1G L:GTP501 4.4 0.0 1.0
CB L:THR145 4.4 0.0 1.0
CG L:GLU71 4.5 0.0 1.0
N L:LEU70 4.6 0.0 1.0
CA L:GLY10 4.7 0.0 1.0
CD L:GLU71 4.8 0.0 1.0
N L:GLU71 4.9 0.0 1.0
CA L:ASP98 4.9 0.0 1.0
CB L:GLN11 4.9 0.0 1.0
C L:GLY10 4.9 0.0 1.0
CA L:ASP69 5.0 0.0 1.0

Magnesium binding site 7 out of 7 in 7pqp

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Magnesium binding site 7 out of 7 in the Tau-Microtubule Structural Ensemble Based on Cryoem Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Tau-Microtubule Structural Ensemble Based on Cryoem Data within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg502

b:0.0
occ:1.00
 OD1 N:ASP98 1.9 0.0 1.0
OD1 N:ASP69 1.9 0.0 1.0
OD2 N:ASP69 2.0 0.0 1.0
O3G N:GTP501 2.1 0.0 1.0
O2G N:GTP501 2.3 0.0 1.0
CG N:ASP69 2.4 0.0 1.0
O1B N:GTP501 2.4 0.0 1.0
PG N:GTP501 2.6 0.0 1.0
CG N:ASP98 2.9 0.0 1.0
OD2 N:ASP98 3.3 0.0 1.0
PB N:GTP501 3.4 0.0 1.0
O3B N:GTP501 3.5 0.0 1.0
OG1 N:THR145 3.6 0.0 1.0
CB N:ASP69 3.9 0.0 1.0
O1G N:GTP501 4.0 0.0 1.0
CB N:THR145 4.1 0.0 1.0
CB N:ASP98 4.1 0.0 1.0
NZ M:LYS252 4.2 0.0 1.0
O2B N:GTP501 4.2 0.0 1.0
N N:LEU70 4.4 0.0 1.0
CB N:GLU71 4.6 0.0 1.0
N N:GLU71 4.6 0.0 1.0
N N:GLN11 4.6 0.0 1.0
CA N:ASP98 4.6 0.0 1.0
N N:THR145 4.6 0.0 1.0
O3A N:GTP501 4.6 0.0 1.0
CA N:ASP69 4.7 0.0 1.0
N N:ALA99 4.7 0.0 1.0
CA N:GLY10 4.8 0.0 1.0

Reference:

Z.F.Brotzakis, P.R.Lindstedt, R.J.Taylor, D.J.Rinauro, N.C.T.Gallagher, G.J.L.Bernardes, M.Vendruscolo. A Structural Ensemble of A Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms Acs Cent.Sci. 2021.
ISSN: ESSN 2374-7951
DOI: 10.1021/ACSCENTSCI.1C00585
Page generated: Thu Oct 3 04:44:23 2024

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