Magnesium in PDB 7mh0: Human CTPS1 Bound to Ctp

Enzymatic activity of Human CTPS1 Bound to Ctp

All present enzymatic activity of Human CTPS1 Bound to Ctp:
6.3.4.2;

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Human CTPS1 Bound to Ctp (pdb code 7mh0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Human CTPS1 Bound to Ctp, PDB code: 7mh0:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 7mh0

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Magnesium binding site 1 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:0.0
occ:1.00
OD2 A:ASP70 2.0 0.0 1.0
O2G A:CTP601 2.2 0.0 1.0
O1A A:CTP601 2.6 0.0 1.0
CG A:ASP70 3.1 0.0 1.0
O2B A:CTP601 3.2 0.0 1.0
PG A:CTP601 3.4 0.0 1.0
OD1 A:ASP70 3.5 0.0 1.0
O1G A:CTP601 3.7 0.0 1.0
HA3 A:GLY17 3.7 0.0 1.0
HE3 A:LYS38 3.8 0.0 1.0
PA A:CTP601 3.9 0.0 1.0
PB A:CTP601 4.0 0.0 1.0
O3A A:CTP601 4.0 0.0 1.0
HB3 A:ASP70 4.1 0.0 1.0
H A:GLY17 4.1 0.0 1.0
O3B A:CTP601 4.1 0.0 1.0
HE2 A:LYS38 4.2 0.0 1.0
CB A:ASP70 4.3 0.0 1.0
HZ2 A:LYS38 4.4 0.0 1.0
H5'2 A:CTP601 4.4 0.0 1.0
CE A:LYS38 4.5 0.0 1.0
OE2 A:GLU146 4.5 0.0 1.0
CA A:GLY17 4.6 0.0 1.0
O3G A:CTP601 4.7 0.0 1.0
N A:GLY17 4.7 0.0 1.0
O2A A:CTP601 4.9 0.0 1.0
HB2 A:ASP70 4.9 0.0 1.0
H5'1 A:CTP601 4.9 0.0 1.0
HA2 A:GLY15 4.9 0.0 1.0
HD21 A:ASN73 4.9 0.0 1.0
O5' A:CTP601 5.0 0.0 1.0
NZ A:LYS38 5.0 0.0 1.0
C5' A:CTP601 5.0 0.0 1.0

Magnesium binding site 2 out of 8 in 7mh0

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Magnesium binding site 2 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:0.0
occ:1.00
O2A B:CTP604 2.1 0.0 1.0
O1G B:CTP604 2.2 0.0 1.0
O1B B:CTP604 2.3 0.0 1.0
HZ1 A:LYS193 3.1 0.0 1.0
HZ2 A:LYS229 3.4 0.0 1.0
PA B:CTP604 3.4 0.0 1.0
PB B:CTP604 3.5 0.0 1.0
PG B:CTP604 3.5 0.0 1.0
OE2 A:GLU191 3.5 0.0 1.0
HZ2 A:LYS193 3.7 0.0 1.0
HZ3 A:LYS229 3.8 0.0 1.0
O3A B:CTP604 3.9 0.0 1.0
NZ A:LYS193 3.9 0.0 1.0
O3B B:CTP604 3.9 0.0 1.0
NZ A:LYS229 4.0 0.0 1.0
O2G B:CTP604 4.1 0.0 1.0
HD2 A:LYS193 4.1 0.0 1.0
HZ1 A:LYS229 4.3 0.0 1.0
O1A B:CTP604 4.4 0.0 1.0
HZ3 A:LYS193 4.4 0.0 1.0
O5' B:CTP604 4.5 0.0 1.0
H5'2 B:CTP604 4.6 0.0 1.0
HD3 A:LYS193 4.6 0.0 1.0
H5'1 B:CTP604 4.7 0.0 1.0
O3G B:CTP604 4.7 0.0 1.0
CD A:GLU191 4.7 0.0 1.0
CD A:LYS193 4.7 0.0 1.0
O2B B:CTP604 4.8 0.0 1.0
C5' B:CTP604 4.9 0.0 1.0
CE A:LYS193 4.9 0.0 1.0

Magnesium binding site 3 out of 8 in 7mh0

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Magnesium binding site 3 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:0.0
occ:1.00
O1A A:CTP603 2.1 0.0 1.0
O3G A:CTP603 2.2 0.0 1.0
O2B A:CTP603 2.3 0.0 1.0
HZ1 B:LYS193 3.0 0.0 1.0
HZ2 B:LYS229 3.4 0.0 1.0
PA A:CTP603 3.4 0.0 1.0
PB A:CTP603 3.5 0.0 1.0
PG A:CTP603 3.5 0.0 1.0
OE2 B:GLU191 3.5 0.0 1.0
HZ2 B:LYS193 3.7 0.0 1.0
HZ3 B:LYS229 3.8 0.0 1.0
NZ B:LYS193 3.8 0.0 1.0
O3A A:CTP603 3.9 0.0 1.0
O3B A:CTP603 3.9 0.0 1.0
O1G A:CTP603 4.0 0.0 1.0
NZ B:LYS229 4.1 0.0 1.0
HD2 B:LYS193 4.1 0.0 1.0
HZ1 B:LYS229 4.4 0.0 1.0
HZ3 B:LYS193 4.4 0.0 1.0
O2A A:CTP603 4.4 0.0 1.0
O5' A:CTP603 4.5 0.0 1.0
HD3 B:LYS193 4.6 0.0 1.0
H5'2 A:CTP603 4.6 0.0 1.0
CD B:GLU191 4.7 0.0 1.0
H5'1 A:CTP603 4.7 0.0 1.0
O2G A:CTP603 4.7 0.0 1.0
CD B:LYS193 4.7 0.0 1.0
O1B A:CTP603 4.8 0.0 1.0
C5' A:CTP603 4.9 0.0 1.0
CE B:LYS193 4.9 0.0 1.0

Magnesium binding site 4 out of 8 in 7mh0

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Magnesium binding site 4 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg603

b:0.0
occ:1.00
OD2 B:ASP70 2.0 0.0 1.0
O1G B:CTP602 2.2 0.0 1.0
O2A B:CTP602 2.6 0.0 1.0
CG B:ASP70 3.1 0.0 1.0
O1B B:CTP602 3.2 0.0 1.0
PG B:CTP602 3.4 0.0 1.0
OD1 B:ASP70 3.5 0.0 1.0
O3G B:CTP602 3.7 0.0 1.0
HA3 B:GLY17 3.7 0.0 1.0
HE3 B:LYS38 3.8 0.0 1.0
PA B:CTP602 3.9 0.0 1.0
PB B:CTP602 4.0 0.0 1.0
O3A B:CTP602 4.0 0.0 1.0
HB3 B:ASP70 4.1 0.0 1.0
H B:GLY17 4.1 0.0 1.0
O3B B:CTP602 4.1 0.0 1.0
HE2 B:LYS38 4.2 0.0 1.0
CB B:ASP70 4.3 0.0 1.0
HZ2 B:LYS38 4.4 0.0 1.0
H5'2 B:CTP602 4.4 0.0 1.0
CE B:LYS38 4.5 0.0 1.0
OE2 B:GLU146 4.5 0.0 1.0
CA B:GLY17 4.6 0.0 1.0
O2G B:CTP602 4.7 0.0 1.0
N B:GLY17 4.7 0.0 1.0
O1A B:CTP602 4.9 0.0 1.0
HB2 B:ASP70 4.9 0.0 1.0
H5'1 B:CTP602 4.9 0.0 1.0
HA2 B:GLY15 4.9 0.0 1.0
HD21 B:ASN73 4.9 0.0 1.0
O5' B:CTP602 5.0 0.0 1.0
NZ B:LYS38 5.0 0.0 1.0
C5' B:CTP602 5.0 0.0 1.0

Magnesium binding site 5 out of 8 in 7mh0

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Magnesium binding site 5 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg602

b:0.0
occ:1.00
OD2 C:ASP70 2.0 0.0 1.0
O1G C:CTP601 2.2 0.0 1.0
O2A C:CTP601 2.6 0.0 1.0
CG C:ASP70 3.1 0.0 1.0
O1B C:CTP601 3.2 0.0 1.0
PG C:CTP601 3.4 0.0 1.0
OD1 C:ASP70 3.5 0.0 1.0
O3G C:CTP601 3.7 0.0 1.0
HA3 C:GLY17 3.7 0.0 1.0
HE3 C:LYS38 3.8 0.0 1.0
PA C:CTP601 3.9 0.0 1.0
PB C:CTP601 4.0 0.0 1.0
O3A C:CTP601 4.0 0.0 1.0
HB3 C:ASP70 4.1 0.0 1.0
H C:GLY17 4.1 0.0 1.0
O3B C:CTP601 4.1 0.0 1.0
HE2 C:LYS38 4.2 0.0 1.0
CB C:ASP70 4.3 0.0 1.0
HZ2 C:LYS38 4.4 0.0 1.0
H5'2 C:CTP601 4.4 0.0 1.0
CE C:LYS38 4.5 0.0 1.0
OE2 C:GLU146 4.5 0.0 1.0
CA C:GLY17 4.6 0.0 1.0
O2G C:CTP601 4.7 0.0 1.0
N C:GLY17 4.7 0.0 1.0
O1A C:CTP601 4.9 0.0 1.0
HB2 C:ASP70 4.9 0.0 1.0
H5'1 C:CTP601 4.9 0.0 1.0
HA2 C:GLY15 4.9 0.0 1.0
HD21 C:ASN73 4.9 0.0 1.0
O5' C:CTP601 5.0 0.0 1.0
NZ C:LYS38 5.0 0.0 1.0
C5' C:CTP601 5.0 0.0 1.0

Magnesium binding site 6 out of 8 in 7mh0

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Magnesium binding site 6 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg604

b:0.0
occ:1.00
O1A D:CTP604 2.1 0.0 1.0
O3G D:CTP604 2.2 0.0 1.0
O2B D:CTP604 2.3 0.0 1.0
HZ1 C:LYS193 3.0 0.0 1.0
PA D:CTP604 3.4 0.0 1.0
HZ2 C:LYS229 3.4 0.0 1.0
PB D:CTP604 3.5 0.0 1.0
PG D:CTP604 3.5 0.0 1.0
OE2 C:GLU191 3.5 0.0 1.0
HZ2 C:LYS193 3.7 0.0 1.0
HZ3 C:LYS229 3.8 0.0 1.0
NZ C:LYS193 3.8 0.0 1.0
O3A D:CTP604 3.9 0.0 1.0
O3B D:CTP604 3.9 0.0 1.0
O1G D:CTP604 4.0 0.0 1.0
HD2 C:LYS193 4.1 0.0 1.0
NZ C:LYS229 4.1 0.0 1.0
HZ3 C:LYS193 4.4 0.0 1.0
HZ1 C:LYS229 4.4 0.0 1.0
O2A D:CTP604 4.4 0.0 1.0
O5' D:CTP604 4.5 0.0 1.0
HD3 C:LYS193 4.5 0.0 1.0
H5'2 D:CTP604 4.6 0.0 1.0
CD C:GLU191 4.7 0.0 1.0
CD C:LYS193 4.7 0.0 1.0
H5'1 D:CTP604 4.7 0.0 1.0
O2G D:CTP604 4.7 0.0 1.0
O1B D:CTP604 4.8 0.0 1.0
C5' D:CTP604 4.9 0.0 1.0
CE C:LYS193 4.9 0.0 1.0

Magnesium binding site 7 out of 8 in 7mh0

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Magnesium binding site 7 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:0.0
occ:1.00
O2A C:CTP603 2.1 0.0 1.0
O1G C:CTP603 2.2 0.0 1.0
O1B C:CTP603 2.3 0.0 1.0
HZ1 D:LYS193 3.0 0.0 1.0
PA C:CTP603 3.4 0.0 1.0
HZ2 D:LYS229 3.4 0.0 1.0
PB C:CTP603 3.5 0.0 1.0
PG C:CTP603 3.5 0.0 1.0
OE2 D:GLU191 3.5 0.0 1.0
HZ2 D:LYS193 3.7 0.0 1.0
HZ3 D:LYS229 3.8 0.0 1.0
NZ D:LYS193 3.8 0.0 1.0
O3A C:CTP603 3.9 0.0 1.0
O3B C:CTP603 3.9 0.0 1.0
O2G C:CTP603 4.0 0.0 1.0
NZ D:LYS229 4.1 0.0 1.0
HD2 D:LYS193 4.1 0.0 1.0
HZ1 D:LYS229 4.4 0.0 1.0
HZ3 D:LYS193 4.4 0.0 1.0
O1A C:CTP603 4.4 0.0 1.0
O5' C:CTP603 4.5 0.0 1.0
HD3 D:LYS193 4.5 0.0 1.0
H5'2 C:CTP603 4.6 0.0 1.0
CD D:GLU191 4.7 0.0 1.0
H5'1 C:CTP603 4.7 0.0 1.0
O3G C:CTP603 4.7 0.0 1.0
CD D:LYS193 4.7 0.0 1.0
O2B C:CTP603 4.8 0.0 1.0
C5' C:CTP603 4.9 0.0 1.0
CE D:LYS193 4.9 0.0 1.0

Magnesium binding site 8 out of 8 in 7mh0

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Magnesium binding site 8 out of 8 in the Human CTPS1 Bound to Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Human CTPS1 Bound to Ctp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg603

b:0.0
occ:1.00
OD2 D:ASP70 2.0 0.0 1.0
O2G D:CTP602 2.2 0.0 1.0
O1A D:CTP602 2.6 0.0 1.0
CG D:ASP70 3.1 0.0 1.0
O2B D:CTP602 3.2 0.0 1.0
PG D:CTP602 3.4 0.0 1.0
OD1 D:ASP70 3.5 0.0 1.0
O1G D:CTP602 3.7 0.0 1.0
HA3 D:GLY17 3.7 0.0 1.0
HE3 D:LYS38 3.8 0.0 1.0
PA D:CTP602 3.9 0.0 1.0
PB D:CTP602 4.0 0.0 1.0
O3A D:CTP602 4.0 0.0 1.0
HB3 D:ASP70 4.1 0.0 1.0
H D:GLY17 4.1 0.0 1.0
O3B D:CTP602 4.1 0.0 1.0
HE2 D:LYS38 4.2 0.0 1.0
CB D:ASP70 4.3 0.0 1.0
HZ2 D:LYS38 4.4 0.0 1.0
H5'2 D:CTP602 4.4 0.0 1.0
CE D:LYS38 4.5 0.0 1.0
OE2 D:GLU146 4.5 0.0 1.0
CA D:GLY17 4.6 0.0 1.0
O3G D:CTP602 4.7 0.0 1.0
N D:GLY17 4.7 0.0 1.0
O2A D:CTP602 4.9 0.0 1.0
HB2 D:ASP70 4.9 0.0 1.0
H5'1 D:CTP602 4.9 0.0 1.0
HA2 D:GLY15 4.9 0.0 1.0
HD21 D:ASN73 4.9 0.0 1.0
O5' D:CTP602 5.0 0.0 1.0
NZ D:LYS38 5.0 0.0 1.0
C5' D:CTP602 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: Fri Nov 5 15:19:28 2021

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