Magnesium in PDB 7mip: Mouse CTPS1 Bound to Inhibitor R80
Enzymatic activity of Mouse CTPS1 Bound to Inhibitor R80
All present enzymatic activity of Mouse CTPS1 Bound to Inhibitor R80:
6.3.4.2;
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Mouse CTPS1 Bound to Inhibitor R80
(pdb code 7mip). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Mouse CTPS1 Bound to Inhibitor R80, PDB code: 7mip:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7mip
Go back to
Magnesium Binding Sites List in 7mip
Magnesium binding site 1 out
of 4 in the Mouse CTPS1 Bound to Inhibitor R80
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Mouse CTPS1 Bound to Inhibitor R80 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg602
b:37.7
occ:1.00
|
O1G
|
C:UTP603
|
2.0
|
33.0
|
1.0
|
O2A
|
C:UTP603
|
2.0
|
33.0
|
1.0
|
O2B
|
C:UTP603
|
2.0
|
33.0
|
1.0
|
PB
|
C:UTP603
|
3.0
|
33.0
|
1.0
|
PA
|
C:UTP603
|
3.1
|
33.0
|
1.0
|
O3A
|
C:UTP603
|
3.2
|
33.0
|
1.0
|
PG
|
C:UTP603
|
3.2
|
33.0
|
1.0
|
O3B
|
C:UTP603
|
3.4
|
33.0
|
1.0
|
HZ3
|
C:LYS193
|
3.4
|
0.0
|
1.0
|
H5'1
|
C:UTP603
|
3.5
|
0.0
|
1.0
|
NZ
|
C:LYS229
|
3.5
|
39.2
|
1.0
|
HZ1
|
C:LYS229
|
3.6
|
0.0
|
1.0
|
HZ2
|
C:LYS193
|
3.8
|
0.0
|
1.0
|
HZ2
|
C:LYS229
|
3.8
|
0.0
|
1.0
|
NZ
|
C:LYS193
|
4.1
|
36.6
|
1.0
|
O3G
|
C:UTP603
|
4.1
|
33.0
|
1.0
|
C5'
|
C:UTP603
|
4.2
|
33.0
|
1.0
|
O5'
|
C:UTP603
|
4.2
|
33.0
|
1.0
|
O1A
|
C:UTP603
|
4.3
|
33.0
|
1.0
|
O2G
|
C:UTP603
|
4.3
|
33.0
|
1.0
|
H5'2
|
C:UTP603
|
4.4
|
0.0
|
1.0
|
HZ1
|
C:LYS193
|
4.4
|
0.0
|
1.0
|
O1B
|
C:UTP603
|
4.5
|
33.0
|
1.0
|
OE1
|
C:GLU191
|
4.6
|
43.0
|
1.0
|
HD3
|
C:LYS229
|
4.7
|
0.0
|
1.0
|
CE
|
C:LYS229
|
4.8
|
39.2
|
1.0
|
HB2
|
D:SER12
|
4.8
|
0.0
|
1.0
|
HE2
|
C:LYS229
|
5.0
|
0.0
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7mip
Go back to
Magnesium Binding Sites List in 7mip
Magnesium binding site 2 out
of 4 in the Mouse CTPS1 Bound to Inhibitor R80
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Mouse CTPS1 Bound to Inhibitor R80 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg603
b:37.9
occ:1.00
|
O1G
|
D:UTP604
|
2.0
|
32.9
|
1.0
|
O1A
|
D:UTP604
|
2.0
|
32.9
|
1.0
|
O1B
|
D:UTP604
|
2.0
|
32.9
|
1.0
|
PB
|
D:UTP604
|
3.0
|
32.9
|
1.0
|
PA
|
D:UTP604
|
3.1
|
32.9
|
1.0
|
O3A
|
D:UTP604
|
3.2
|
32.9
|
1.0
|
PG
|
D:UTP604
|
3.2
|
32.9
|
1.0
|
O3B
|
D:UTP604
|
3.4
|
32.9
|
1.0
|
HZ2
|
D:LYS193
|
3.4
|
0.0
|
1.0
|
H5'1
|
D:UTP604
|
3.5
|
0.0
|
1.0
|
NZ
|
D:LYS229
|
3.5
|
39.1
|
1.0
|
HZ2
|
D:LYS229
|
3.6
|
0.0
|
1.0
|
HZ1
|
D:LYS193
|
3.8
|
0.0
|
1.0
|
HZ1
|
D:LYS229
|
3.8
|
0.0
|
1.0
|
NZ
|
D:LYS193
|
4.1
|
36.5
|
1.0
|
O2G
|
D:UTP604
|
4.1
|
32.9
|
1.0
|
C5'
|
D:UTP604
|
4.2
|
32.9
|
1.0
|
O5'
|
D:UTP604
|
4.2
|
32.9
|
1.0
|
O2A
|
D:UTP604
|
4.2
|
32.9
|
1.0
|
O3G
|
D:UTP604
|
4.3
|
32.9
|
1.0
|
H5'2
|
D:UTP604
|
4.4
|
0.0
|
1.0
|
HZ3
|
D:LYS193
|
4.4
|
0.0
|
1.0
|
O2B
|
D:UTP604
|
4.5
|
32.9
|
1.0
|
OE1
|
D:GLU191
|
4.6
|
42.9
|
1.0
|
HD3
|
D:LYS229
|
4.7
|
0.0
|
1.0
|
CE
|
D:LYS229
|
4.8
|
39.1
|
1.0
|
HB2
|
C:SER12
|
4.8
|
0.0
|
1.0
|
HE2
|
D:LYS229
|
5.0
|
0.0
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7mip
Go back to
Magnesium Binding Sites List in 7mip
Magnesium binding site 3 out
of 4 in the Mouse CTPS1 Bound to Inhibitor R80
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Mouse CTPS1 Bound to Inhibitor R80 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg602
b:37.7
occ:1.00
|
O1G
|
G:UTP603
|
2.0
|
33.0
|
1.0
|
O1A
|
G:UTP603
|
2.0
|
33.0
|
1.0
|
O1B
|
G:UTP603
|
2.0
|
33.0
|
1.0
|
PB
|
G:UTP603
|
3.0
|
33.0
|
1.0
|
PA
|
G:UTP603
|
3.1
|
33.0
|
1.0
|
O3A
|
G:UTP603
|
3.2
|
33.0
|
1.0
|
PG
|
G:UTP603
|
3.2
|
33.0
|
1.0
|
O3B
|
G:UTP603
|
3.4
|
33.0
|
1.0
|
HZ2
|
G:LYS193
|
3.4
|
0.0
|
1.0
|
H5'2
|
G:UTP603
|
3.5
|
0.0
|
1.0
|
NZ
|
G:LYS229
|
3.5
|
39.2
|
1.0
|
HZ1
|
G:LYS229
|
3.6
|
0.0
|
1.0
|
HZ3
|
G:LYS193
|
3.8
|
0.0
|
1.0
|
HZ2
|
G:LYS229
|
3.8
|
0.0
|
1.0
|
NZ
|
G:LYS193
|
4.1
|
36.6
|
1.0
|
O2G
|
G:UTP603
|
4.1
|
33.0
|
1.0
|
C5'
|
G:UTP603
|
4.2
|
33.0
|
1.0
|
O5'
|
G:UTP603
|
4.2
|
33.0
|
1.0
|
O2A
|
G:UTP603
|
4.3
|
33.0
|
1.0
|
O3G
|
G:UTP603
|
4.3
|
33.0
|
1.0
|
H5'1
|
G:UTP603
|
4.4
|
0.0
|
1.0
|
HZ1
|
G:LYS193
|
4.4
|
0.0
|
1.0
|
O2B
|
G:UTP603
|
4.5
|
33.0
|
1.0
|
OE1
|
G:GLU191
|
4.6
|
43.0
|
1.0
|
HD3
|
G:LYS229
|
4.7
|
0.0
|
1.0
|
HB2
|
I:SER12
|
4.8
|
0.0
|
1.0
|
CE
|
G:LYS229
|
4.8
|
39.2
|
1.0
|
HE2
|
G:LYS229
|
5.0
|
0.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7mip
Go back to
Magnesium Binding Sites List in 7mip
Magnesium binding site 4 out
of 4 in the Mouse CTPS1 Bound to Inhibitor R80
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Mouse CTPS1 Bound to Inhibitor R80 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg603
b:37.9
occ:1.00
|
O1G
|
I:UTP604
|
2.0
|
32.9
|
1.0
|
O2A
|
I:UTP604
|
2.0
|
32.9
|
1.0
|
O2B
|
I:UTP604
|
2.0
|
32.9
|
1.0
|
PB
|
I:UTP604
|
3.0
|
32.9
|
1.0
|
PA
|
I:UTP604
|
3.1
|
32.9
|
1.0
|
O3A
|
I:UTP604
|
3.2
|
32.9
|
1.0
|
PG
|
I:UTP604
|
3.2
|
32.9
|
1.0
|
O3B
|
I:UTP604
|
3.4
|
32.9
|
1.0
|
HZ3
|
I:LYS193
|
3.4
|
0.0
|
1.0
|
H5'1
|
I:UTP604
|
3.5
|
0.0
|
1.0
|
NZ
|
I:LYS229
|
3.5
|
39.1
|
1.0
|
HZ1
|
I:LYS229
|
3.6
|
0.0
|
1.0
|
HZ1
|
I:LYS193
|
3.8
|
0.0
|
1.0
|
HZ2
|
I:LYS229
|
3.8
|
0.0
|
1.0
|
NZ
|
I:LYS193
|
4.1
|
36.5
|
1.0
|
O3G
|
I:UTP604
|
4.1
|
32.9
|
1.0
|
C5'
|
I:UTP604
|
4.2
|
32.9
|
1.0
|
O5'
|
I:UTP604
|
4.2
|
32.9
|
1.0
|
O1A
|
I:UTP604
|
4.2
|
32.9
|
1.0
|
O2G
|
I:UTP604
|
4.3
|
32.9
|
1.0
|
H5'2
|
I:UTP604
|
4.4
|
0.0
|
1.0
|
HZ2
|
I:LYS193
|
4.4
|
0.0
|
1.0
|
O1B
|
I:UTP604
|
4.5
|
32.9
|
1.0
|
OE1
|
I:GLU191
|
4.6
|
42.9
|
1.0
|
HD3
|
I:LYS229
|
4.7
|
0.0
|
1.0
|
CE
|
I:LYS229
|
4.8
|
39.1
|
1.0
|
HB2
|
G:SER12
|
4.8
|
0.0
|
1.0
|
HE2
|
I:LYS229
|
5.0
|
0.0
|
1.0
|
|
Reference:
E.M.Lynch,
M.A.Dimattia,
S.Albanese,
G.C.P.Van Zundert,
J.M.Hansen,
J.D.Quispe,
M.A.Kennedy,
A.Verras,
K.Borrelli,
A.V.Toms,
N.Kaila,
K.D.Kreutter,
J.J.Mcelwee,
J.M.Kollman.
Structural Basis For Isoform-Specific Inhibition of Human CTPS1. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34583994
DOI: 10.1073/PNAS.2107968118
Page generated: Thu Oct 3 00:56:57 2024
|