Sodium in PDB 5u0v: E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine

All present enzymatic activity of E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine:
2.5.1.15;

The structure of E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine, PDB code: 5u0v was solved by T.S.Peat, M.L.Dennis, J.D.Swarbrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.03 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.605, 85.016, 82.085, 90.00, 102.83, 90.00
R / Rfree (%)	17.5 / 20.6

The binding sites of Sodium atom in the E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine (pdb code 5u0v). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine, PDB code: 5u0v:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:24.8 occ:1.00 O A:HOH498 2.3 30.9 1.0 O A:HOH590 2.4 41.2 1.0 OD1 A:ASP258 2.4 22.1 0.8 O A:HOH442 2.6 25.2 1.0 CG A:ASP258 3.5 17.9 0.8 CB A:ASP258 3.9 18.1 1.0 NH2 A:ARG220 4.1 24.0 1.0 CA A:ASP258 4.2 14.5 1.0 O A:HOH448 4.5 33.8 1.0 OD2 A:ASP258 4.6 17.6 0.8 OE1 A:GLU261 4.6 20.2 1.0 OE2 A:GLU261 4.7 23.1 1.0 O A:HIS257 4.8 22.2 1.0 O A:HOH512 4.8 28.0 1.0 O A:HOH503 4.9 26.6 1.0

Sodium binding site 2 out of 2 in the E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of E. Coli Dihydropteroate Synthase Complexed with 6-Methylamino-5- Nitrosoisocytosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Na303 b:28.4 occ:1.00 O B:HOH538 2.3 40.3 1.0 O B:HOH421 2.4 27.9 1.0 OD1 B:ASP258 2.5 23.1 1.0 O B:HOH491 2.6 29.7 1.0 CG B:ASP258 3.5 23.3 1.0 CB B:ASP258 3.9 17.4 1.0 CA B:ASP258 4.1 16.4 1.0 NH2 B:ARG220 4.1 23.4 1.0 OE1 B:GLU261 4.4 20.3 1.0 O B:HOH508 4.5 29.7 1.0 OE2 B:GLU261 4.6 25.9 1.0 OD2 B:ASP258 4.7 21.4 1.0 O B:HOH556 4.8 39.8 1.0 O B:HIS257 4.8 21.4 1.0 O B:ACY301 4.8 25.7 1.0 O B:HOH591 4.8 32.0 1.0 CD B:GLU261 4.9 24.9 1.0 N B:ASP258 5.0 18.2 1.0 OXT B:ACY301 5.0 27.3 1.0

M.L.Dennis, M.D.Lee, J.R.Harjani, M.Ahmed, A.J.Debono, N.P.Pitcher, Z.C.Wang, S.Chhabra, N.Barlow, R.Rahmani, B.Cleary, O.Dolezal, M.Hattarki, L.Aurelio, J.Shonberg, B.Graham, T.S.Peat, J.B.Baell, J.D.Swarbrick. 8-Mercaptoguanine Derivatives As Inhibitors of Dihydropteroate Synthase. Chemistry V. 24 1922 2018.
ISSN: ISSN 1521-3765
PubMed: 29171692
DOI: 10.1002/CHEM.201704730