Magnesium in PDB 4aas: Atp-Triggered Molecular Mechanics of the Chaperonin Groel
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
(pdb code 4aas). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the
Atp-Triggered Molecular Mechanics of the Chaperonin Groel, PDB code: 4aas:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
Magnesium binding site 1 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 1 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1526
b:0.0
occ:1.00
|
O3G
|
A:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
A:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
A:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
A:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
A:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
A:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
A:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
A:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
A:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
A:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
A:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
A:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
A:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
A:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
A:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
A:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
A:ATP1527
|
4.1
|
0.0
|
1.0
|
CA
|
A:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
A:ATP1527
|
4.3
|
0.0
|
1.0
|
O2B
|
A:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
A:SER151
|
4.3
|
0.0
|
1.0
|
P
|
A:PO41525
|
4.4
|
0.0
|
1.0
|
C
|
A:ASP87
|
4.4
|
0.0
|
1.0
|
C5'
|
A:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
A:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
A:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 2 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 2 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1526
b:0.0
occ:1.00
|
O3G
|
B:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
B:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
B:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
B:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
B:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
B:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
B:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
B:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
B:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
B:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
B:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
B:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
B:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
B:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
B:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
B:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
B:ATP1527
|
4.2
|
0.0
|
1.0
|
CA
|
B:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
B:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
B:SER151
|
4.3
|
0.0
|
1.0
|
O2B
|
B:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
B:ASP87
|
4.4
|
0.0
|
1.0
|
P
|
B:PO41525
|
4.4
|
0.0
|
1.0
|
C5'
|
B:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
B:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
B:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 3 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 3 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1526
b:0.0
occ:1.00
|
O3G
|
C:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
C:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
C:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
C:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
C:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
C:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
C:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
C:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
C:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
C:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
C:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
C:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
C:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
C:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
C:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
C:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
C:ATP1527
|
4.2
|
0.0
|
1.0
|
CA
|
C:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
C:ATP1527
|
4.3
|
0.0
|
1.0
|
O2B
|
C:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
C:SER151
|
4.3
|
0.0
|
1.0
|
C
|
C:ASP87
|
4.4
|
0.0
|
1.0
|
P
|
C:PO41525
|
4.4
|
0.0
|
1.0
|
C5'
|
C:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
C:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
C:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 4 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 4 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1526
b:0.0
occ:1.00
|
O3G
|
D:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
D:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
D:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
D:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
D:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
D:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
D:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
D:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
D:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
D:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
D:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
D:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
D:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
D:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
D:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
D:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
D:ATP1527
|
4.2
|
0.0
|
1.0
|
CA
|
D:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
D:ATP1527
|
4.3
|
0.0
|
1.0
|
O2B
|
D:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
D:SER151
|
4.3
|
0.0
|
1.0
|
C
|
D:ASP87
|
4.4
|
0.0
|
1.0
|
P
|
D:PO41525
|
4.4
|
0.0
|
1.0
|
C5'
|
D:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
D:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
D:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 5 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 5 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg1526
b:0.0
occ:1.00
|
O3G
|
E:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
E:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
E:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
E:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
E:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
E:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
E:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
E:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
E:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
E:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
E:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
E:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
E:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
E:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
E:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
E:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
E:ATP1527
|
4.1
|
0.0
|
1.0
|
CA
|
E:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
E:ATP1527
|
4.3
|
0.0
|
1.0
|
O2B
|
E:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
E:SER151
|
4.3
|
0.0
|
1.0
|
P
|
E:PO41525
|
4.4
|
0.0
|
1.0
|
C
|
E:ASP87
|
4.4
|
0.0
|
1.0
|
C5'
|
E:ATP1527
|
4.4
|
0.0
|
1.0
|
CA
|
E:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
E:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 6 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 6 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg1526
b:0.0
occ:1.00
|
O3G
|
F:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
F:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
F:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
F:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
F:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
F:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
F:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
F:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
F:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
F:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
F:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
F:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
F:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
F:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
F:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
F:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
F:ATP1527
|
4.2
|
0.0
|
1.0
|
CA
|
F:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
F:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
F:SER151
|
4.3
|
0.0
|
1.0
|
O2B
|
F:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
F:ASP87
|
4.4
|
0.0
|
1.0
|
P
|
F:PO41525
|
4.4
|
0.0
|
1.0
|
C5'
|
F:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
F:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
F:SER151
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 7 out
of 7 in 4aas
Go back to
Magnesium Binding Sites List in 4aas
Magnesium binding site 7 out
of 7 in the Atp-Triggered Molecular Mechanics of the Chaperonin Groel
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Atp-Triggered Molecular Mechanics of the Chaperonin Groel within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg1526
b:0.0
occ:1.00
|
O3G
|
G:ATP1527
|
1.8
|
0.0
|
1.0
|
O1B
|
G:ATP1527
|
1.8
|
0.0
|
1.0
|
O2A
|
G:ATP1527
|
1.8
|
0.0
|
1.0
|
OD1
|
G:ASP87
|
1.9
|
0.0
|
1.0
|
OD2
|
G:ASP87
|
1.9
|
0.0
|
1.0
|
CG
|
G:ASP87
|
2.2
|
0.0
|
1.0
|
PB
|
G:ATP1527
|
2.9
|
0.0
|
1.0
|
PG
|
G:ATP1527
|
3.0
|
0.0
|
1.0
|
PA
|
G:ATP1527
|
3.1
|
0.0
|
1.0
|
O
|
G:SER151
|
3.3
|
0.0
|
1.0
|
O3B
|
G:ATP1527
|
3.4
|
0.0
|
1.0
|
O3A
|
G:ATP1527
|
3.5
|
0.0
|
1.0
|
O2G
|
G:ATP1527
|
3.5
|
0.0
|
1.0
|
N
|
G:GLY88
|
3.6
|
0.0
|
1.0
|
CB
|
G:ASP87
|
3.7
|
0.0
|
1.0
|
O1A
|
G:ATP1527
|
4.0
|
0.0
|
1.0
|
O5'
|
G:ATP1527
|
4.2
|
0.0
|
1.0
|
CA
|
G:ASP87
|
4.2
|
0.0
|
1.0
|
O1G
|
G:ATP1527
|
4.3
|
0.0
|
1.0
|
O2B
|
G:ATP1527
|
4.3
|
0.0
|
1.0
|
C
|
G:SER151
|
4.3
|
0.0
|
1.0
|
C
|
G:ASP87
|
4.4
|
0.0
|
1.0
|
P
|
G:PO41525
|
4.4
|
0.0
|
1.0
|
C5'
|
G:ATP1527
|
4.5
|
0.0
|
1.0
|
CA
|
G:GLY88
|
4.5
|
0.0
|
1.0
|
CA
|
G:SER151
|
4.9
|
0.0
|
1.0
|
|
Reference:
D.K.Clare,
D.Vasishtan,
S.Stagg,
J.Quispe,
G.W.Farr,
M.Topf,
A.L.Horwich,
H.R.Saibil.
Atp-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin. Cell(Cambridge,Mass.) V. 149 113 2012.
ISSN: ISSN 0092-8674
PubMed: 22445172
DOI: 10.1016/J.CELL.2012.02.047
Page generated: Thu Aug 15 14:27:34 2024
|