Magnesium in PDB 7mh1: Human CTPS2 Bound to Ctp

All present enzymatic activity of Human CTPS2 Bound to Ctp:
6.3.4.2;

The binding sites of Magnesium atom in the Human CTPS2 Bound to Ctp (pdb code 7mh1). 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 CTPS2 Bound to Ctp, PDB code: 7mh1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg602 b:30.0 occ:1.00 OD1 H:ASP70 2.0 35.6 1.0 O1G H:CTP601 2.2 36.0 1.0 O2A H:CTP601 2.6 36.0 1.0 O1B H:CTP601 3.2 36.0 1.0 CG H:ASP70 3.2 35.6 1.0 PG H:CTP601 3.4 36.0 1.0 HE2 H:LYS38 3.5 24.1 1.0 HA3 H:GLY17 3.5 27.8 1.0 O3G H:CTP601 3.7 36.0 1.0 OD2 H:ASP70 3.9 35.6 1.0 PA H:CTP601 3.9 36.0 1.0 H H:GLY17 3.9 27.8 1.0 PB H:CTP601 4.0 36.0 1.0 O3A H:CTP601 4.0 36.0 1.0 HZ1 H:LYS38 4.1 24.1 1.0 O3B H:CTP601 4.1 36.0 1.0 HB3 H:ASP70 4.2 35.6 1.0 HZ2 H:LYS38 4.3 24.1 1.0 CB H:ASP70 4.4 35.6 1.0 H5'2 H:CTP601 4.4 36.0 1.0 CA H:GLY17 4.5 27.8 1.0 OE2 H:GLU146 4.5 22.2 1.0 CE H:LYS38 4.5 24.1 1.0 OE1 H:GLU146 4.5 22.2 1.0 NZ H:LYS38 4.5 24.1 1.0 N H:GLY17 4.6 27.8 1.0 O2G H:CTP601 4.7 36.0 1.0 HA2 H:GLY17 4.8 27.8 1.0 O1A H:CTP601 4.9 36.0 1.0 H5'1 H:CTP601 4.9 36.0 1.0 CD H:GLU146 4.9 22.2 1.0 O5' H:CTP601 5.0 36.0 1.0 C5' H:CTP601 5.0 36.0 1.0 HB2 H:ASP70 5.0 35.6 1.0 HD21 H:ASN73 5.0 34.4 1.0

Magnesium binding site 2 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg604 b:30.0 occ:1.00 O1A J:CTP604 2.1 23.7 1.0 O3G J:CTP604 2.2 20.7 1.0 O2B J:CTP604 2.3 30.4 1.0 HZ1 H:LYS193 2.8 31.2 1.0 HZ3 H:LYS193 3.2 31.2 1.0 HZ2 H:LYS229 3.3 28.8 1.0 PA J:CTP604 3.4 23.1 1.0 NZ H:LYS193 3.4 31.2 1.0 PB J:CTP604 3.5 24.6 1.0 PG J:CTP604 3.5 25.8 1.0 OE2 H:GLU191 3.7 41.8 1.0 HZ3 H:LYS229 3.8 28.8 1.0 HE3 H:LYS193 3.8 31.2 1.0 O3A J:CTP604 3.9 32.5 1.0 O3B J:CTP604 3.9 28.7 1.0 NZ H:LYS229 3.9 28.8 1.0 O1G J:CTP604 4.0 23.7 1.0 HZ1 H:LYS229 4.1 28.8 1.0 HZ2 H:LYS193 4.2 31.2 1.0 CE H:LYS193 4.2 31.2 1.0 O2A J:CTP604 4.4 24.2 1.0 O5' J:CTP604 4.5 19.7 1.0 H5'2 J:CTP604 4.6 23.6 1.0 CD H:GLU191 4.7 41.8 1.0 H5'1 J:CTP604 4.7 23.6 1.0 O2G J:CTP604 4.7 22.3 1.0 O1B J:CTP604 4.8 26.3 1.0 C5' J:CTP604 4.9 23.6 1.0 HE2 H:LYS193 4.9 31.2 1.0

Magnesium binding site 3 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg601 b:30.0 occ:1.00 O2A H:CTP603 2.1 23.7 1.0 O1G H:CTP603 2.2 20.7 1.0 O1B H:CTP603 2.3 30.4 1.0 HZ1 J:LYS193 2.8 31.2 1.0 HZ3 J:LYS193 3.2 31.2 1.0 HZ2 J:LYS229 3.3 28.8 1.0 PA H:CTP603 3.4 23.1 1.0 NZ J:LYS193 3.4 31.2 1.0 PB H:CTP603 3.5 24.6 1.0 PG H:CTP603 3.5 25.8 1.0 OE2 J:GLU191 3.7 41.8 1.0 HZ3 J:LYS229 3.8 28.8 1.0 HE3 J:LYS193 3.8 31.2 1.0 O3A H:CTP603 3.9 32.5 1.0 O3B H:CTP603 3.9 28.7 1.0 NZ J:LYS229 3.9 28.8 1.0 O2G H:CTP603 4.0 23.7 1.0 HZ1 J:LYS229 4.1 28.8 1.0 HZ2 J:LYS193 4.2 31.2 1.0 CE J:LYS193 4.2 31.2 1.0 O1A H:CTP603 4.4 24.2 1.0 O5' H:CTP603 4.5 19.7 1.0 H5'2 H:CTP603 4.6 23.6 1.0 CD J:GLU191 4.7 41.8 1.0 H5'1 H:CTP603 4.7 23.6 1.0 O3G H:CTP603 4.7 22.3 1.0 O2B H:CTP603 4.8 26.3 1.0 C5' H:CTP603 4.9 23.6 1.0 HE2 J:LYS193 4.9 31.2 1.0

Magnesium binding site 4 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg603 b:30.0 occ:1.00 OD1 J:ASP70 2.0 35.6 1.0 O2G J:CTP602 2.2 36.0 1.0 O1A J:CTP602 2.6 36.0 1.0 O2B J:CTP602 3.2 36.0 1.0 CG J:ASP70 3.2 35.6 1.0 PG J:CTP602 3.4 36.0 1.0 HE2 J:LYS38 3.5 24.1 1.0 HA3 J:GLY17 3.5 27.8 1.0 O1G J:CTP602 3.7 36.0 1.0 OD2 J:ASP70 3.9 35.6 1.0 PA J:CTP602 3.9 36.0 1.0 H J:GLY17 3.9 27.8 1.0 PB J:CTP602 4.0 36.0 1.0 O3A J:CTP602 4.0 36.0 1.0 HZ1 J:LYS38 4.1 24.1 1.0 O3B J:CTP602 4.1 36.0 1.0 HB3 J:ASP70 4.2 35.6 1.0 HZ2 J:LYS38 4.3 24.1 1.0 CB J:ASP70 4.4 35.6 1.0 H5'2 J:CTP602 4.4 36.0 1.0 CA J:GLY17 4.5 27.8 1.0 OE2 J:GLU146 4.5 22.2 1.0 CE J:LYS38 4.5 24.1 1.0 OE1 J:GLU146 4.5 22.2 1.0 NZ J:LYS38 4.5 24.1 1.0 N J:GLY17 4.6 27.8 1.0 O3G J:CTP602 4.7 36.0 1.0 HA2 J:GLY17 4.8 27.8 1.0 O2A J:CTP602 4.9 36.0 1.0 H5'1 J:CTP602 4.9 36.0 1.0 CD J:GLU146 4.9 22.2 1.0 O5' J:CTP602 5.0 36.0 1.0 C5' J:CTP602 5.0 36.0 1.0 HB2 J:ASP70 5.0 35.6 1.0 HD21 J:ASN73 5.0 34.4 1.0

Magnesium binding site 5 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ K:Mg602 b:30.0 occ:1.00 OD1 K:ASP70 2.0 35.6 1.0 O2G K:CTP601 2.2 36.0 1.0 O1A K:CTP601 2.6 36.0 1.0 O2B K:CTP601 3.2 36.0 1.0 CG K:ASP70 3.2 35.6 1.0 PG K:CTP601 3.4 36.0 1.0 HE2 K:LYS38 3.5 24.1 1.0 HA3 K:GLY17 3.5 27.8 1.0 O1G K:CTP601 3.7 36.0 1.0 OD2 K:ASP70 3.9 35.6 1.0 PA K:CTP601 3.9 36.0 1.0 H K:GLY17 3.9 27.8 1.0 PB K:CTP601 4.0 36.0 1.0 O3A K:CTP601 4.0 36.0 1.0 HZ1 K:LYS38 4.1 24.1 1.0 O3B K:CTP601 4.1 36.0 1.0 HB3 K:ASP70 4.2 35.6 1.0 HZ2 K:LYS38 4.3 24.1 1.0 CB K:ASP70 4.4 35.6 1.0 H5'2 K:CTP601 4.4 36.0 1.0 CA K:GLY17 4.5 27.8 1.0 OE2 K:GLU146 4.5 22.2 1.0 CE K:LYS38 4.5 24.1 1.0 OE1 K:GLU146 4.5 22.2 1.0 NZ K:LYS38 4.5 24.1 1.0 N K:GLY17 4.6 27.8 1.0 O3G K:CTP601 4.7 36.0 1.0 HA2 K:GLY17 4.8 27.8 1.0 O2A K:CTP601 4.9 36.0 1.0 H5'1 K:CTP601 4.9 36.0 1.0 CD K:GLU146 4.9 22.2 1.0 O5' K:CTP601 5.0 36.0 1.0 C5' K:CTP601 5.0 36.0 1.0 HB2 K:ASP70 5.0 35.6 1.0 HD21 K:ASN73 5.0 34.4 1.0

Magnesium binding site 6 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ K:Mg604 b:30.0 occ:1.00 O2A L:CTP604 2.1 23.7 1.0 O1G L:CTP604 2.2 20.7 1.0 O1B L:CTP604 2.3 30.4 1.0 HZ1 K:LYS193 2.8 31.2 1.0 HZ3 K:LYS193 3.2 31.2 1.0 HZ2 K:LYS229 3.3 28.8 1.0 PA L:CTP604 3.4 23.1 1.0 NZ K:LYS193 3.4 31.2 1.0 PB L:CTP604 3.5 24.6 1.0 PG L:CTP604 3.5 25.8 1.0 OE2 K:GLU191 3.7 41.8 1.0 HZ3 K:LYS229 3.8 28.8 1.0 HE3 K:LYS193 3.9 31.2 1.0 O3A L:CTP604 3.9 32.5 1.0 O3B L:CTP604 3.9 28.7 1.0 NZ K:LYS229 3.9 28.8 1.0 O2G L:CTP604 4.1 23.7 1.0 HZ1 K:LYS229 4.1 28.8 1.0 HZ2 K:LYS193 4.2 31.2 1.0 CE K:LYS193 4.3 31.2 1.0 O1A L:CTP604 4.4 24.2 1.0 O5' L:CTP604 4.5 19.7 1.0 H5'2 L:CTP604 4.6 23.6 1.0 CD K:GLU191 4.7 41.8 1.0 H5'1 L:CTP604 4.7 23.6 1.0 O3G L:CTP604 4.7 22.3 1.0 O2B L:CTP604 4.8 26.3 1.0 C5' L:CTP604 4.9 23.6 1.0 HE2 K:LYS193 4.9 31.2 1.0

Magnesium binding site 7 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg601 b:30.0 occ:1.00 O1A K:CTP603 2.1 23.7 1.0 O3G K:CTP603 2.2 20.7 1.0 O2B K:CTP603 2.3 30.4 1.0 HZ1 L:LYS193 2.8 31.2 1.0 HZ3 L:LYS193 3.2 31.2 1.0 HZ2 L:LYS229 3.3 28.8 1.0 PA K:CTP603 3.4 23.1 1.0 NZ L:LYS193 3.5 31.2 1.0 PB K:CTP603 3.5 24.6 1.0 PG K:CTP603 3.5 25.8 1.0 OE2 L:GLU191 3.7 41.8 1.0 HZ3 L:LYS229 3.8 28.8 1.0 HE3 L:LYS193 3.9 31.2 1.0 O3A K:CTP603 3.9 32.5 1.0 O3B K:CTP603 3.9 28.7 1.0 NZ L:LYS229 3.9 28.8 1.0 HZ1 L:LYS229 4.0 28.8 1.0 O1G K:CTP603 4.0 23.7 1.0 HZ2 L:LYS193 4.2 31.2 1.0 CE L:LYS193 4.3 31.2 1.0 O2A K:CTP603 4.4 24.2 1.0 O5' K:CTP603 4.5 19.7 1.0 H5'2 K:CTP603 4.6 23.6 1.0 CD L:GLU191 4.7 41.8 1.0 H5'1 K:CTP603 4.7 23.6 1.0 O2G K:CTP603 4.7 22.3 1.0 O1B K:CTP603 4.8 26.3 1.0 C5' K:CTP603 4.9 23.6 1.0 HE2 L:LYS193 4.9 31.2 1.0

Magnesium binding site 8 out of 8 in the Human CTPS2 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 CTPS2 Bound to Ctp within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg603 b:30.0 occ:1.00 OD1 L:ASP70 2.0 35.6 1.0 O1G L:CTP602 2.2 36.0 1.0 O2A L:CTP602 2.6 36.0 1.0 O1B L:CTP602 3.2 36.0 1.0 CG L:ASP70 3.2 35.6 1.0 PG L:CTP602 3.4 36.0 1.0 HE2 L:LYS38 3.5 24.1 1.0 HA3 L:GLY17 3.5 27.8 1.0 O3G L:CTP602 3.7 36.0 1.0 OD2 L:ASP70 3.9 35.6 1.0 PA L:CTP602 3.9 36.0 1.0 H L:GLY17 3.9 27.8 1.0 PB L:CTP602 4.0 36.0 1.0 O3A L:CTP602 4.0 36.0 1.0 HZ1 L:LYS38 4.1 24.1 1.0 O3B L:CTP602 4.1 36.0 1.0 HB3 L:ASP70 4.2 35.6 1.0 HZ2 L:LYS38 4.3 24.1 1.0 CB L:ASP70 4.4 35.6 1.0 H5'2 L:CTP602 4.4 36.0 1.0 CA L:GLY17 4.5 27.8 1.0 OE2 L:GLU146 4.5 22.2 1.0 CE L:LYS38 4.5 24.1 1.0 OE1 L:GLU146 4.5 22.2 1.0 NZ L:LYS38 4.5 24.1 1.0 N L:GLY17 4.6 27.8 1.0 O2G L:CTP602 4.7 36.0 1.0 HA2 L:GLY17 4.8 27.8 1.0 O1A L:CTP602 4.9 36.0 1.0 H5'1 L:CTP602 4.9 36.0 1.0 CD L:GLU146 4.9 22.2 1.0 O5' L:CTP602 5.0 36.0 1.0 C5' L:CTP602 5.0 36.0 1.0 HB2 L:ASP70 5.0 35.6 1.0 HD21 L:ASN73 5.0 34.4 1.0

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