Magnesium in PDB 7miv: Mouse CTPS2-I250T Bound to Inhibitor R80

All present enzymatic activity of Mouse CTPS2-I250T Bound to Inhibitor R80:
6.3.4.2;

The binding sites of Magnesium atom in the Mouse CTPS2-I250T Bound to Inhibitor R80 (pdb code 7miv). 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 CTPS2-I250T Bound to Inhibitor R80, PDB code: 7miv:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Mouse CTPS2-I250T 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 CTPS2-I250T Bound to Inhibitor R80 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg602 b:43.2 occ:1.00 O1G D:UTP603 1.9 44.7 1.0 O1A D:UTP603 2.0 44.7 1.0 O1B D:UTP603 2.1 44.7 1.0 HZ3 D:LYS193 2.9 0.0 1.0 HZ2 D:LYS229 3.1 0.0 1.0 PB D:UTP603 3.1 44.7 1.0 PA D:UTP603 3.2 44.7 1.0 PG D:UTP603 3.3 44.7 1.0 O3A D:UTP603 3.3 44.7 1.0 HZ3 D:LYS229 3.3 0.0 1.0 OE1 D:GLU191 3.3 55.3 1.0 O3B D:UTP603 3.5 44.7 1.0 NZ D:LYS229 3.6 48.3 1.0 NZ D:LYS193 3.7 47.6 1.0 H5'2 D:UTP603 3.8 0.0 1.0 HZ1 D:LYS193 3.9 0.0 1.0 HZ2 D:LYS193 3.9 0.0 1.0 HZ1 D:LYS229 4.0 0.0 1.0 O2G D:UTP603 4.1 44.7 1.0 CD D:GLU191 4.2 55.3 1.0 O2A D:UTP603 4.2 44.7 1.0 HD2 D:LYS229 4.3 0.0 1.0 OE2 D:GLU191 4.3 55.3 1.0 O3G D:UTP603 4.3 44.7 1.0 O5' D:UTP603 4.4 44.7 1.0 C5' D:UTP603 4.4 44.7 1.0 O2B D:UTP603 4.5 44.7 1.0 H5'1 D:UTP603 4.5 0.0 1.0 HG C:SER12 4.8 0.0 1.0 O C:GLU54 4.8 54.7 1.0 HD2 D:LYS193 4.9 0.0 1.0 CE D:LYS229 4.9 48.3 1.0 CE D:LYS193 4.9 47.6 1.0

Magnesium binding site 2 out of 4 in the Mouse CTPS2-I250T 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 CTPS2-I250T Bound to Inhibitor R80 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg604 b:43.4 occ:1.00 O1G C:UTP603 1.9 44.8 1.0 O2A C:UTP603 2.0 44.8 1.0 O2B C:UTP603 2.1 44.8 1.0 HZ1 C:LYS193 2.9 0.0 1.0 HZ1 C:LYS229 3.1 0.0 1.0 PB C:UTP603 3.1 44.8 1.0 PA C:UTP603 3.2 44.8 1.0 PG C:UTP603 3.3 44.8 1.0 O3A C:UTP603 3.3 44.8 1.0 HZ3 C:LYS229 3.3 0.0 1.0 OE1 C:GLU191 3.3 55.3 1.0 O3B C:UTP603 3.5 44.8 1.0 NZ C:LYS229 3.6 48.4 1.0 NZ C:LYS193 3.7 47.5 1.0 H5'1 C:UTP603 3.8 0.0 1.0 HZ3 C:LYS193 3.9 0.0 1.0 HZ2 C:LYS193 3.9 0.0 1.0 HZ2 C:LYS229 4.0 0.0 1.0 O3G C:UTP603 4.1 44.8 1.0 CD C:GLU191 4.2 55.3 1.0 O1A C:UTP603 4.2 44.8 1.0 HD2 C:LYS229 4.3 0.0 1.0 O2G C:UTP603 4.3 44.8 1.0 OE2 C:GLU191 4.3 55.3 1.0 O5' C:UTP603 4.4 44.8 1.0 C5' C:UTP603 4.4 44.8 1.0 O1B C:UTP603 4.5 44.8 1.0 H5'2 C:UTP603 4.5 0.0 1.0 HG D:SER12 4.8 0.0 1.0 O D:GLU54 4.8 54.6 1.0 HD2 C:LYS193 4.9 0.0 1.0 CE C:LYS229 4.9 48.4 1.0 CE C:LYS193 4.9 47.5 1.0

Magnesium binding site 3 out of 4 in the Mouse CTPS2-I250T 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 CTPS2-I250T Bound to Inhibitor R80 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg602 b:43.2 occ:1.00 O1G H:UTP603 1.9 44.7 1.0 O2A H:UTP603 2.0 44.7 1.0 O2B H:UTP603 2.1 44.7 1.0 HZ3 H:LYS193 2.9 0.0 1.0 HZ2 H:LYS229 3.1 0.0 1.0 PB H:UTP603 3.1 44.7 1.0 PA H:UTP603 3.2 44.7 1.0 PG H:UTP603 3.3 44.7 1.0 O3A H:UTP603 3.3 44.7 1.0 HZ3 H:LYS229 3.3 0.0 1.0 OE1 H:GLU191 3.3 55.3 1.0 O3B H:UTP603 3.5 44.7 1.0 NZ H:LYS229 3.6 48.3 1.0 NZ H:LYS193 3.7 47.6 1.0 H5'2 H:UTP603 3.8 0.0 1.0 HZ1 H:LYS193 3.9 0.0 1.0 HZ2 H:LYS193 3.9 0.0 1.0 HZ1 H:LYS229 4.0 0.0 1.0 O3G H:UTP603 4.1 44.7 1.0 CD H:GLU191 4.2 55.3 1.0 O1A H:UTP603 4.2 44.7 1.0 HD2 H:LYS229 4.3 0.0 1.0 OE2 H:GLU191 4.3 55.3 1.0 O2G H:UTP603 4.3 44.7 1.0 O5' H:UTP603 4.4 44.7 1.0 C5' H:UTP603 4.4 44.7 1.0 O1B H:UTP603 4.5 44.7 1.0 H5'1 H:UTP603 4.5 0.0 1.0 HG G:SER12 4.8 0.0 1.0 O G:GLU54 4.8 54.7 1.0 HD2 H:LYS193 4.9 0.0 1.0 CE H:LYS229 4.9 48.3 1.0 CE H:LYS193 4.9 47.6 1.0

Magnesium binding site 4 out of 4 in the Mouse CTPS2-I250T 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 CTPS2-I250T Bound to Inhibitor R80 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg604 b:43.4 occ:1.00 O1G G:UTP603 1.9 44.8 1.0 O1A G:UTP603 2.0 44.8 1.0 O1B G:UTP603 2.0 44.8 1.0 HZ1 G:LYS193 2.9 0.0 1.0 HZ3 G:LYS229 3.1 0.0 1.0 PB G:UTP603 3.1 44.8 1.0 PA G:UTP603 3.2 44.8 1.0 PG G:UTP603 3.3 44.8 1.0 O3A G:UTP603 3.3 44.8 1.0 HZ2 G:LYS229 3.3 0.0 1.0 OE1 G:GLU191 3.3 55.3 1.0 O3B G:UTP603 3.5 44.8 1.0 NZ G:LYS229 3.6 48.4 1.0 NZ G:LYS193 3.7 47.5 1.0 H5'1 G:UTP603 3.8 0.0 1.0 HZ2 G:LYS193 3.9 0.0 1.0 HZ3 G:LYS193 3.9 0.0 1.0 HZ1 G:LYS229 4.0 0.0 1.0 O2G G:UTP603 4.1 44.8 1.0 CD G:GLU191 4.2 55.3 1.0 O2A G:UTP603 4.2 44.8 1.0 HD2 G:LYS229 4.3 0.0 1.0 O3G G:UTP603 4.3 44.8 1.0 OE2 G:GLU191 4.3 55.3 1.0 O5' G:UTP603 4.4 44.8 1.0 C5' G:UTP603 4.4 44.8 1.0 O2B G:UTP603 4.5 44.8 1.0 H5'2 G:UTP603 4.5 0.0 1.0 HG H:SER12 4.8 0.0 1.0 O H:GLU54 4.8 54.6 1.0 HD2 G:LYS193 4.9 0.0 1.0 CE G:LYS229 4.9 48.4 1.0 CE G:LYS193 4.9 47.5 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