Magnesium in PDB 5tkv: X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase

All present enzymatic activity of X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase:
6.3.4.2;

The structure of X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase, PDB code: 5tkv was solved by E.P.Baldwin, J.A.Endrizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.02 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	159.159, 110.675, 129.487, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.8

The binding sites of Magnesium atom in the X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase (pdb code 5tkv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase, PDB code: 5tkv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg607 b:34.4 occ:1.00 O B:HOH821 2.0 44.4 1.0 O1G B:CTP603 2.0 22.9 1.0 O1A B:CTP603 2.1 21.8 1.0 O1B B:CTP603 2.1 35.2 1.0 O B:HOH841 2.1 38.5 1.0 O B:HOH788 2.2 34.5 1.0 PB B:CTP603 3.1 25.9 1.0 PA B:CTP603 3.3 24.3 1.0 PG B:CTP603 3.3 25.2 1.0 O3A B:CTP603 3.6 31.2 1.0 O3B B:CTP603 3.6 28.9 1.0 O2G B:CTP603 4.0 26.1 1.0 NZ A:LYS223 4.1 24.7 1.0 OE2 A:GLU185 4.3 68.7 1.0 NZ A:LYS187 4.3 24.2 1.0 O2A B:CTP603 4.3 26.3 1.0 O5' B:CTP603 4.4 16.9 1.0 O2B B:CTP603 4.5 30.5 1.0 O3G B:CTP603 4.6 27.3 1.0 C5' B:CTP603 4.6 22.4 1.0 O B:HOH790 4.8 37.7 1.0 OE1 A:GLU185 4.9 67.4 1.0 CD A:GLU185 5.0 72.8 1.0

Magnesium binding site 2 out of 2 in the X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of the "Closed" Conformation of Ctp-Inhibited E. Coli Cytidine Triphosphate (Ctp) Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:40.0 occ:1.00 O2B B:CTP601 2.1 30.4 1.0 O B:HOH837 2.1 48.0 1.0 O2A B:CTP601 2.1 23.7 1.0 O B:HOH812 2.2 34.2 1.0 O3G B:CTP601 2.2 20.7 1.0 O B:HOH796 2.2 38.7 1.0 PB B:CTP601 3.2 24.6 1.0 PG B:CTP601 3.4 25.8 1.0 PA B:CTP601 3.5 23.1 1.0 O3B B:CTP601 3.7 28.7 1.0 O3A B:CTP601 3.8 32.5 1.0 O2G B:CTP601 3.9 23.7 1.0 NZ B:LYS223 4.1 33.1 1.0 NZ B:LYS187 4.3 19.8 1.0 O1A B:CTP601 4.5 24.2 1.0 O B:HOH886 4.5 36.0 1.0 OE2 B:GLU185 4.5 70.6 1.0 O5' B:CTP601 4.5 19.7 1.0 O1B B:CTP601 4.6 26.3 1.0 OE1 B:GLU185 4.6 57.0 1.0 O1G B:CTP601 4.7 22.3 1.0 C5' B:CTP601 4.8 23.6 1.0 CD B:GLU185 5.0 80.9 1.0

E.M.Lynch, D.R.Hicks, M.Shepherd, J.A.Endrizzi, A.Maker, J.M.Hansen, R.M.Barry, Z.Gitai, E.P.Baldwin, J.M.Kollman. Human Ctp Synthase Filament Structure Reveals the Active Enzyme Conformation. Nat. Struct. Mol. Biol. V. 24 507 2017.
ISSN: ESSN 1545-9985
PubMed: 28459447
DOI: 10.1038/NSMB.3407