Magnesium in PDB 7mii: Human CTPS2 Bound to Inhibitor T35
Enzymatic activity of Human CTPS2 Bound to Inhibitor T35
All present enzymatic activity of Human CTPS2 Bound to Inhibitor T35:
6.3.4.2;
Other elements in 7mii:
The structure of Human CTPS2 Bound to Inhibitor T35 also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Human CTPS2 Bound to Inhibitor T35
(pdb code 7mii). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Human CTPS2 Bound to Inhibitor T35, PDB code: 7mii:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7mii
Go back to
Magnesium Binding Sites List in 7mii
Magnesium binding site 1 out
of 4 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg604
b:33.1
occ:1.00
|
O1A
|
B:UTP603
|
2.0
|
26.9
|
1.0
|
O3G
|
B:UTP603
|
2.1
|
26.9
|
1.0
|
O2G
|
B:UTP603
|
2.1
|
26.9
|
1.0
|
O1B
|
B:UTP603
|
2.1
|
26.9
|
1.0
|
PG
|
B:UTP603
|
2.4
|
26.9
|
1.0
|
PB
|
B:UTP603
|
2.9
|
26.9
|
1.0
|
O3B
|
B:UTP603
|
2.9
|
26.9
|
1.0
|
HZ3
|
A:LYS229
|
3.0
|
0.0
|
1.0
|
PA
|
B:UTP603
|
3.0
|
26.9
|
1.0
|
O3A
|
B:UTP603
|
3.0
|
26.9
|
1.0
|
HZ2
|
A:LYS229
|
3.1
|
0.0
|
1.0
|
HZ2
|
A:LYS193
|
3.3
|
0.0
|
1.0
|
NZ
|
A:LYS229
|
3.4
|
33.1
|
1.0
|
HZ1
|
A:LYS229
|
3.5
|
0.0
|
1.0
|
H5'2
|
B:UTP603
|
3.9
|
0.0
|
1.0
|
O1G
|
B:UTP603
|
3.9
|
26.9
|
1.0
|
O2A
|
B:UTP603
|
4.1
|
26.9
|
1.0
|
NZ
|
A:LYS193
|
4.2
|
30.0
|
1.0
|
HZ1
|
A:LYS193
|
4.3
|
0.0
|
1.0
|
O5'
|
B:UTP603
|
4.3
|
26.9
|
1.0
|
O2B
|
B:UTP603
|
4.4
|
26.9
|
1.0
|
C5'
|
B:UTP603
|
4.4
|
26.9
|
1.0
|
H5'1
|
B:UTP603
|
4.5
|
0.0
|
1.0
|
HD2
|
A:LYS193
|
4.5
|
0.0
|
1.0
|
HZ3
|
A:LYS193
|
4.6
|
0.0
|
1.0
|
CE
|
A:LYS229
|
4.8
|
33.1
|
1.0
|
HD3
|
A:LYS193
|
4.8
|
0.0
|
1.0
|
HD3
|
A:LYS229
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7mii
Go back to
Magnesium Binding Sites List in 7mii
Magnesium binding site 2 out
of 4 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg601
b:33.1
occ:1.00
|
O2A
|
A:UTP602
|
2.0
|
26.9
|
1.0
|
O2G
|
A:UTP602
|
2.1
|
26.9
|
1.0
|
O1G
|
A:UTP602
|
2.1
|
26.9
|
1.0
|
O2B
|
A:UTP602
|
2.1
|
26.9
|
1.0
|
PG
|
A:UTP602
|
2.4
|
26.9
|
1.0
|
PB
|
A:UTP602
|
2.9
|
26.9
|
1.0
|
O3B
|
A:UTP602
|
2.9
|
26.9
|
1.0
|
HZ3
|
B:LYS229
|
3.0
|
0.0
|
1.0
|
PA
|
A:UTP602
|
3.0
|
26.9
|
1.0
|
O3A
|
A:UTP602
|
3.0
|
26.9
|
1.0
|
HZ2
|
B:LYS229
|
3.1
|
0.0
|
1.0
|
HZ2
|
B:LYS193
|
3.3
|
0.0
|
1.0
|
NZ
|
B:LYS229
|
3.4
|
33.1
|
1.0
|
HZ1
|
B:LYS229
|
3.5
|
0.0
|
1.0
|
H5'2
|
A:UTP602
|
3.9
|
0.0
|
1.0
|
O3G
|
A:UTP602
|
3.9
|
26.9
|
1.0
|
O1A
|
A:UTP602
|
4.1
|
26.9
|
1.0
|
NZ
|
B:LYS193
|
4.2
|
30.0
|
1.0
|
HZ1
|
B:LYS193
|
4.3
|
0.0
|
1.0
|
O5'
|
A:UTP602
|
4.3
|
26.9
|
1.0
|
O1B
|
A:UTP602
|
4.4
|
26.9
|
1.0
|
C5'
|
A:UTP602
|
4.4
|
26.9
|
1.0
|
H5'1
|
A:UTP602
|
4.5
|
0.0
|
1.0
|
HD2
|
B:LYS193
|
4.5
|
0.0
|
1.0
|
HZ3
|
B:LYS193
|
4.6
|
0.0
|
1.0
|
CE
|
B:LYS229
|
4.8
|
33.1
|
1.0
|
HD3
|
B:LYS193
|
4.8
|
0.0
|
1.0
|
HD3
|
B:LYS229
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7mii
Go back to
Magnesium Binding Sites List in 7mii
Magnesium binding site 3 out
of 4 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg604
b:33.1
occ:1.00
|
O2A
|
E:UTP603
|
2.0
|
26.9
|
1.0
|
O2G
|
E:UTP603
|
2.1
|
26.9
|
1.0
|
O1G
|
E:UTP603
|
2.1
|
26.9
|
1.0
|
O2B
|
E:UTP603
|
2.1
|
26.9
|
1.0
|
PG
|
E:UTP603
|
2.4
|
26.9
|
1.0
|
PB
|
E:UTP603
|
2.9
|
26.9
|
1.0
|
O3B
|
E:UTP603
|
2.9
|
26.9
|
1.0
|
HZ3
|
C:LYS229
|
2.9
|
0.0
|
1.0
|
PA
|
E:UTP603
|
3.0
|
26.9
|
1.0
|
O3A
|
E:UTP603
|
3.0
|
26.9
|
1.0
|
HZ2
|
C:LYS229
|
3.1
|
0.0
|
1.0
|
HZ2
|
C:LYS193
|
3.3
|
0.0
|
1.0
|
NZ
|
C:LYS229
|
3.4
|
33.1
|
1.0
|
HZ1
|
C:LYS229
|
3.5
|
0.0
|
1.0
|
H5'2
|
E:UTP603
|
3.9
|
0.0
|
1.0
|
O3G
|
E:UTP603
|
3.9
|
26.9
|
1.0
|
O1A
|
E:UTP603
|
4.1
|
26.9
|
1.0
|
NZ
|
C:LYS193
|
4.2
|
30.0
|
1.0
|
HZ1
|
C:LYS193
|
4.3
|
0.0
|
1.0
|
O5'
|
E:UTP603
|
4.3
|
26.9
|
1.0
|
O1B
|
E:UTP603
|
4.4
|
26.9
|
1.0
|
C5'
|
E:UTP603
|
4.4
|
26.9
|
1.0
|
H5'1
|
E:UTP603
|
4.5
|
0.0
|
1.0
|
HD2
|
C:LYS193
|
4.5
|
0.0
|
1.0
|
HZ3
|
C:LYS193
|
4.6
|
0.0
|
1.0
|
CE
|
C:LYS229
|
4.8
|
33.1
|
1.0
|
HD3
|
C:LYS193
|
4.8
|
0.0
|
1.0
|
HD3
|
C:LYS229
|
4.9
|
0.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7mii
Go back to
Magnesium Binding Sites List in 7mii
Magnesium binding site 4 out
of 4 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg601
b:33.1
occ:1.00
|
O1A
|
C:UTP602
|
2.0
|
26.9
|
1.0
|
O3G
|
C:UTP602
|
2.1
|
26.9
|
1.0
|
O2G
|
C:UTP602
|
2.1
|
26.9
|
1.0
|
O1B
|
C:UTP602
|
2.1
|
26.9
|
1.0
|
PG
|
C:UTP602
|
2.4
|
26.9
|
1.0
|
PB
|
C:UTP602
|
2.9
|
26.9
|
1.0
|
O3B
|
C:UTP602
|
2.9
|
26.9
|
1.0
|
HZ3
|
E:LYS229
|
2.9
|
0.0
|
1.0
|
PA
|
C:UTP602
|
3.0
|
26.9
|
1.0
|
O3A
|
C:UTP602
|
3.0
|
26.9
|
1.0
|
HZ2
|
E:LYS229
|
3.1
|
0.0
|
1.0
|
HZ2
|
E:LYS193
|
3.3
|
0.0
|
1.0
|
NZ
|
E:LYS229
|
3.4
|
33.1
|
1.0
|
HZ1
|
E:LYS229
|
3.5
|
0.0
|
1.0
|
H5'2
|
C:UTP602
|
3.9
|
0.0
|
1.0
|
O1G
|
C:UTP602
|
3.9
|
26.9
|
1.0
|
O2A
|
C:UTP602
|
4.1
|
26.9
|
1.0
|
NZ
|
E:LYS193
|
4.2
|
30.0
|
1.0
|
HZ1
|
E:LYS193
|
4.3
|
0.0
|
1.0
|
O5'
|
C:UTP602
|
4.3
|
26.9
|
1.0
|
O2B
|
C:UTP602
|
4.4
|
26.9
|
1.0
|
C5'
|
C:UTP602
|
4.4
|
26.9
|
1.0
|
H5'1
|
C:UTP602
|
4.5
|
0.0
|
1.0
|
HD2
|
E:LYS193
|
4.5
|
0.0
|
1.0
|
HZ3
|
E:LYS193
|
4.7
|
0.0
|
1.0
|
CE
|
E:LYS229
|
4.8
|
33.1
|
1.0
|
HD3
|
E:LYS193
|
4.8
|
0.0
|
1.0
|
HD3
|
E:LYS229
|
4.9
|
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 00:56:45 2024
|