Magnesium in PDB 7wj4: Structural Basis For Ligand Binding Modes of Ctp Synthase
Enzymatic activity of Structural Basis For Ligand Binding Modes of Ctp Synthase
All present enzymatic activity of Structural Basis For Ligand Binding Modes of Ctp Synthase:
6.3.4.2;
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Magnesium atom in the Structural Basis For Ligand Binding Modes of Ctp Synthase
(pdb code 7wj4). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the
Structural Basis For Ligand Binding Modes of Ctp Synthase, PDB code: 7wj4:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 12 in 7wj4
Go back to
Magnesium Binding Sites List in 7wj4
Magnesium binding site 1 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg704
b:60.6
occ:1.00
|
OD1
|
D:ASP70
|
2.0
|
63.2
|
1.0
|
O2G
|
D:ATP702
|
2.0
|
66.6
|
1.0
|
OE2
|
D:GLU145
|
2.4
|
45.1
|
1.0
|
O2B
|
D:ATP702
|
2.6
|
66.6
|
1.0
|
CG
|
D:ASP70
|
2.9
|
63.2
|
1.0
|
PG
|
D:ATP702
|
2.9
|
66.6
|
1.0
|
O3G
|
D:ATP702
|
3.0
|
66.6
|
1.0
|
OD2
|
D:ASP70
|
3.3
|
63.2
|
1.0
|
CD
|
D:GLU145
|
3.5
|
45.1
|
1.0
|
CE
|
D:LYS38
|
3.5
|
45.5
|
1.0
|
PB
|
D:ATP702
|
3.6
|
66.6
|
1.0
|
O3B
|
D:ATP702
|
3.7
|
66.6
|
1.0
|
OE1
|
D:GLU145
|
3.8
|
45.1
|
1.0
|
CB
|
D:ASP70
|
4.1
|
63.2
|
1.0
|
O4
|
A:UTP601
|
4.1
|
67.7
|
1.0
|
CD
|
D:LYS38
|
4.1
|
45.5
|
1.0
|
NZ
|
D:LYS38
|
4.2
|
45.5
|
1.0
|
O1G
|
D:ATP702
|
4.3
|
66.6
|
1.0
|
N
|
D:GLY17
|
4.3
|
54.8
|
1.0
|
O1B
|
D:ATP702
|
4.3
|
66.6
|
1.0
|
CA
|
D:GLY17
|
4.4
|
54.8
|
1.0
|
CG
|
D:GLU145
|
4.7
|
45.1
|
1.0
|
CE
|
D:LYS16
|
4.8
|
50.9
|
1.0
|
CB
|
D:LYS16
|
4.8
|
50.9
|
1.0
|
O3A
|
D:ATP702
|
4.9
|
66.6
|
1.0
|
O1A
|
D:ATP702
|
5.0
|
66.6
|
1.0
|
|
Magnesium binding site 2 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 2 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg705
b:117.0
occ:1.00
|
O1B
|
D:GTP701
|
2.0
|
123.2
|
1.0
|
PB
|
D:GTP701
|
3.2
|
123.2
|
1.0
|
O2A
|
D:GTP701
|
3.3
|
123.2
|
1.0
|
O3B
|
D:GTP701
|
3.3
|
123.2
|
1.0
|
N2
|
D:GTP701
|
3.3
|
123.2
|
1.0
|
O3A
|
D:GTP701
|
4.2
|
123.2
|
1.0
|
C5'
|
D:GTP701
|
4.2
|
123.2
|
1.0
|
O2B
|
D:GTP701
|
4.2
|
123.2
|
1.0
|
PA
|
D:GTP701
|
4.3
|
123.2
|
1.0
|
C2
|
D:GTP701
|
4.4
|
123.2
|
1.0
|
O5'
|
D:GTP701
|
4.7
|
123.2
|
1.0
|
N3
|
D:GTP701
|
4.7
|
123.2
|
1.0
|
PG
|
D:GTP701
|
4.9
|
123.2
|
1.0
|
|
Magnesium binding site 3 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 3 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg707
b:56.0
occ:1.00
|
O3A
|
D:UTP706
|
2.5
|
67.9
|
1.0
|
O1A
|
D:UTP706
|
3.1
|
67.9
|
1.0
|
PA
|
D:UTP706
|
3.2
|
67.9
|
1.0
|
O2B
|
D:UTP706
|
3.4
|
67.9
|
1.0
|
PB
|
D:UTP706
|
3.5
|
67.9
|
1.0
|
O2G
|
D:UTP706
|
3.7
|
67.9
|
1.0
|
O5'
|
D:UTP706
|
3.8
|
67.9
|
1.0
|
NZ
|
D:LYS228
|
4.0
|
71.9
|
1.0
|
O1G
|
D:UTP706
|
4.3
|
67.9
|
1.0
|
C5'
|
D:UTP706
|
4.4
|
67.9
|
1.0
|
PG
|
D:UTP706
|
4.4
|
67.9
|
1.0
|
O3B
|
D:UTP706
|
4.5
|
67.9
|
1.0
|
NZ
|
D:LYS192
|
4.5
|
58.8
|
1.0
|
O2A
|
D:UTP706
|
4.6
|
67.9
|
1.0
|
O1B
|
D:UTP706
|
4.7
|
67.9
|
1.0
|
OG
|
A:SER12
|
4.7
|
58.8
|
1.0
|
OE2
|
D:GLU190
|
5.0
|
75.0
|
1.0
|
|
Magnesium binding site 4 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 4 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg602
b:57.3
occ:1.00
|
O3A
|
A:UTP601
|
2.5
|
67.7
|
1.0
|
O1A
|
A:UTP601
|
3.1
|
67.7
|
1.0
|
PA
|
A:UTP601
|
3.2
|
67.7
|
1.0
|
O2B
|
A:UTP601
|
3.4
|
67.7
|
1.0
|
PB
|
A:UTP601
|
3.5
|
67.7
|
1.0
|
O2G
|
A:UTP601
|
3.7
|
67.7
|
1.0
|
O5'
|
A:UTP601
|
3.8
|
67.7
|
1.0
|
NZ
|
A:LYS228
|
4.0
|
71.0
|
1.0
|
O1G
|
A:UTP601
|
4.3
|
67.7
|
1.0
|
C5'
|
A:UTP601
|
4.4
|
67.7
|
1.0
|
PG
|
A:UTP601
|
4.4
|
67.7
|
1.0
|
O3B
|
A:UTP601
|
4.5
|
67.7
|
1.0
|
NZ
|
A:LYS192
|
4.5
|
58.8
|
1.0
|
O2A
|
A:UTP601
|
4.6
|
67.7
|
1.0
|
O1B
|
A:UTP601
|
4.7
|
67.7
|
1.0
|
OG
|
D:SER12
|
4.7
|
58.7
|
1.0
|
OE2
|
A:GLU190
|
5.0
|
74.7
|
1.0
|
|
Magnesium binding site 5 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 5 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg606
b:59.9
occ:1.00
|
OD1
|
A:ASP70
|
2.0
|
63.0
|
1.0
|
O2G
|
A:ATP604
|
2.0
|
66.7
|
1.0
|
OE2
|
A:GLU145
|
2.4
|
45.0
|
1.0
|
O2B
|
A:ATP604
|
2.6
|
66.7
|
1.0
|
CG
|
A:ASP70
|
2.9
|
63.0
|
1.0
|
PG
|
A:ATP604
|
2.9
|
66.7
|
1.0
|
O3G
|
A:ATP604
|
3.0
|
66.7
|
1.0
|
OD2
|
A:ASP70
|
3.3
|
63.0
|
1.0
|
CD
|
A:GLU145
|
3.5
|
45.0
|
1.0
|
CE
|
A:LYS38
|
3.5
|
45.5
|
1.0
|
PB
|
A:ATP604
|
3.6
|
66.7
|
1.0
|
O3B
|
A:ATP604
|
3.7
|
66.7
|
1.0
|
OE1
|
A:GLU145
|
3.8
|
45.0
|
1.0
|
CB
|
A:ASP70
|
4.1
|
63.0
|
1.0
|
O4
|
D:UTP706
|
4.1
|
67.9
|
1.0
|
CD
|
A:LYS38
|
4.1
|
45.5
|
1.0
|
NZ
|
A:LYS38
|
4.2
|
45.5
|
1.0
|
O1G
|
A:ATP604
|
4.3
|
66.7
|
1.0
|
N
|
A:GLY17
|
4.3
|
55.0
|
1.0
|
O1B
|
A:ATP604
|
4.3
|
66.7
|
1.0
|
CA
|
A:GLY17
|
4.4
|
55.0
|
1.0
|
CG
|
A:GLU145
|
4.7
|
45.0
|
1.0
|
CE
|
A:LYS16
|
4.8
|
51.1
|
1.0
|
CB
|
A:LYS16
|
4.8
|
51.1
|
1.0
|
O3A
|
A:ATP604
|
4.9
|
66.7
|
1.0
|
O1A
|
A:ATP604
|
5.0
|
66.7
|
1.0
|
|
Magnesium binding site 6 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 6 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg607
b:115.9
occ:1.00
|
O1B
|
A:GTP603
|
2.0
|
123.0
|
1.0
|
PB
|
A:GTP603
|
3.2
|
123.0
|
1.0
|
O2A
|
A:GTP603
|
3.3
|
123.0
|
1.0
|
O3B
|
A:GTP603
|
3.3
|
123.0
|
1.0
|
N2
|
A:GTP603
|
3.3
|
123.0
|
1.0
|
O3A
|
A:GTP603
|
4.2
|
123.0
|
1.0
|
C5'
|
A:GTP603
|
4.2
|
123.0
|
1.0
|
O2B
|
A:GTP603
|
4.2
|
123.0
|
1.0
|
PA
|
A:GTP603
|
4.3
|
123.0
|
1.0
|
C2
|
A:GTP603
|
4.4
|
123.0
|
1.0
|
O5'
|
A:GTP603
|
4.7
|
123.0
|
1.0
|
N3
|
A:GTP603
|
4.7
|
123.0
|
1.0
|
PG
|
A:GTP603
|
4.9
|
123.0
|
1.0
|
|
Magnesium binding site 7 out
of 12 in 7wj4
Go back to
Magnesium Binding Sites List in 7wj4
Magnesium binding site 7 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg704
b:60.2
occ:1.00
|
OD1
|
B:ASP70
|
2.0
|
63.4
|
1.0
|
O2G
|
B:ATP702
|
2.0
|
66.5
|
1.0
|
OE2
|
B:GLU145
|
2.4
|
45.2
|
1.0
|
O2B
|
B:ATP702
|
2.6
|
66.5
|
1.0
|
CG
|
B:ASP70
|
2.9
|
63.4
|
1.0
|
PG
|
B:ATP702
|
2.9
|
66.5
|
1.0
|
O3G
|
B:ATP702
|
3.0
|
66.5
|
1.0
|
OD2
|
B:ASP70
|
3.3
|
63.4
|
1.0
|
CD
|
B:GLU145
|
3.5
|
45.2
|
1.0
|
CE
|
B:LYS38
|
3.5
|
45.5
|
1.0
|
PB
|
B:ATP702
|
3.6
|
66.5
|
1.0
|
O3B
|
B:ATP702
|
3.7
|
66.5
|
1.0
|
OE1
|
B:GLU145
|
3.8
|
45.2
|
1.0
|
CB
|
B:ASP70
|
4.1
|
63.4
|
1.0
|
O4
|
C:UTP601
|
4.1
|
67.9
|
1.0
|
CD
|
B:LYS38
|
4.1
|
45.5
|
1.0
|
NZ
|
B:LYS38
|
4.2
|
45.5
|
1.0
|
O1G
|
B:ATP702
|
4.3
|
66.5
|
1.0
|
N
|
B:GLY17
|
4.3
|
54.9
|
1.0
|
O1B
|
B:ATP702
|
4.3
|
66.5
|
1.0
|
CA
|
B:GLY17
|
4.4
|
54.9
|
1.0
|
CG
|
B:GLU145
|
4.7
|
45.2
|
1.0
|
CE
|
B:LYS16
|
4.8
|
51.2
|
1.0
|
CB
|
B:LYS16
|
4.8
|
51.2
|
1.0
|
O3A
|
B:ATP702
|
4.9
|
66.5
|
1.0
|
O1A
|
B:ATP702
|
5.0
|
66.5
|
1.0
|
|
Magnesium binding site 8 out
of 12 in 7wj4
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Magnesium Binding Sites List in 7wj4
Magnesium binding site 8 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg705
b:115.5
occ:1.00
|
O1B
|
B:GTP701
|
2.0
|
122.5
|
1.0
|
PB
|
B:GTP701
|
3.2
|
122.5
|
1.0
|
O2A
|
B:GTP701
|
3.3
|
122.5
|
1.0
|
O3B
|
B:GTP701
|
3.3
|
122.5
|
1.0
|
N2
|
B:GTP701
|
3.3
|
122.5
|
1.0
|
O3A
|
B:GTP701
|
4.2
|
122.5
|
1.0
|
C5'
|
B:GTP701
|
4.2
|
122.5
|
1.0
|
O2B
|
B:GTP701
|
4.2
|
122.5
|
1.0
|
PA
|
B:GTP701
|
4.3
|
122.5
|
1.0
|
C2
|
B:GTP701
|
4.4
|
122.5
|
1.0
|
O5'
|
B:GTP701
|
4.7
|
122.5
|
1.0
|
N3
|
B:GTP701
|
4.7
|
122.5
|
1.0
|
PG
|
B:GTP701
|
4.9
|
122.5
|
1.0
|
|
Magnesium binding site 9 out
of 12 in 7wj4
Go back to
Magnesium Binding Sites List in 7wj4
Magnesium binding site 9 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg707
b:57.4
occ:1.00
|
O3A
|
B:UTP706
|
2.5
|
67.9
|
1.0
|
O2A
|
B:UTP706
|
3.1
|
67.9
|
1.0
|
PA
|
B:UTP706
|
3.2
|
67.9
|
1.0
|
O1B
|
B:UTP706
|
3.4
|
67.9
|
1.0
|
PB
|
B:UTP706
|
3.5
|
67.9
|
1.0
|
O1G
|
B:UTP706
|
3.7
|
67.9
|
1.0
|
O5'
|
B:UTP706
|
3.8
|
67.9
|
1.0
|
NZ
|
B:LYS228
|
4.0
|
71.5
|
1.0
|
O2G
|
B:UTP706
|
4.3
|
67.9
|
1.0
|
C5'
|
B:UTP706
|
4.4
|
67.9
|
1.0
|
PG
|
B:UTP706
|
4.4
|
67.9
|
1.0
|
O3B
|
B:UTP706
|
4.5
|
67.9
|
1.0
|
NZ
|
B:LYS192
|
4.5
|
59.0
|
1.0
|
O1A
|
B:UTP706
|
4.6
|
67.9
|
1.0
|
O2B
|
B:UTP706
|
4.7
|
67.9
|
1.0
|
OG
|
C:SER12
|
4.7
|
59.5
|
1.0
|
OE2
|
B:GLU190
|
5.0
|
75.6
|
1.0
|
|
Magnesium binding site 10 out
of 12 in 7wj4
Go back to
Magnesium Binding Sites List in 7wj4
Magnesium binding site 10 out
of 12 in the Structural Basis For Ligand Binding Modes of Ctp Synthase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Structural Basis For Ligand Binding Modes of Ctp Synthase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg602
b:58.4
occ:1.00
|
O3A
|
C:UTP601
|
2.5
|
67.9
|
1.0
|
O2A
|
C:UTP601
|
3.1
|
67.9
|
1.0
|
PA
|
C:UTP601
|
3.2
|
67.9
|
1.0
|
O1B
|
C:UTP601
|
3.4
|
67.9
|
1.0
|
PB
|
C:UTP601
|
3.5
|
67.9
|
1.0
|
O1G
|
C:UTP601
|
3.7
|
67.9
|
1.0
|
O5'
|
C:UTP601
|
3.8
|
67.9
|
1.0
|
NZ
|
C:LYS228
|
4.0
|
71.8
|
1.0
|
O2G
|
C:UTP601
|
4.3
|
67.9
|
1.0
|
C5'
|
C:UTP601
|
4.4
|
67.9
|
1.0
|
PG
|
C:UTP601
|
4.4
|
67.9
|
1.0
|
O3B
|
C:UTP601
|
4.5
|
67.9
|
1.0
|
NZ
|
C:LYS192
|
4.5
|
59.0
|
1.0
|
O1A
|
C:UTP601
|
4.6
|
67.9
|
1.0
|
O2B
|
C:UTP601
|
4.7
|
67.9
|
1.0
|
OG
|
B:SER12
|
4.7
|
59.0
|
1.0
|
OE2
|
C:GLU190
|
5.0
|
75.4
|
1.0
|
|
Reference:
X.Zhou,
C.J.Guo,
C.C.Chang,
J.Zhong,
H.H.Hu,
G.M.Lu,
J.L.Liu.
Structural Basis For Ligand Binding Modes of Ctp Synthase. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34301892
DOI: 10.1073/PNAS.2026621118
Page generated: Thu Oct 3 11:18:05 2024
|