Sodium in PDB 5te1: C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate

All present enzymatic activity of C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate:
2.3.3.8;

The structure of C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate, PDB code: 5te1 was solved by J.Hu, M.E.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.01 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.770, 73.320, 131.370, 90.00, 97.06, 90.00
R / Rfree (%)	18.8 / 24.7

The binding sites of Sodium atom in the C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate (pdb code 5te1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate, PDB code: 5te1:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na903 b:34.7 occ:1.00 O A:SER260 2.3 29.1 1.0 O A:ASP257 2.3 22.8 1.0 O A:ALA262 2.4 31.1 1.0 OD1 A:ASP257 2.4 28.7 1.0 HB2 A:SER260 2.8 34.4 1.0 C A:SER260 3.2 31.0 1.0 C A:ASP257 3.4 27.8 1.0 H A:SER260 3.4 52.6 1.0 CG A:ASP257 3.4 26.1 1.0 O A:HOH1357 3.5 30.3 1.0 HA A:ASP257 3.6 36.4 1.0 C A:ALA262 3.6 23.9 1.0 CB A:SER260 3.6 28.6 1.0 HA A:SER263 3.6 24.9 1.0 CA A:SER260 3.8 37.4 1.0 CA A:ASP257 3.9 30.3 1.0 HB3 A:SER260 3.9 34.4 1.0 N A:SER260 4.0 43.8 1.0 C A:GLY261 4.1 26.8 1.0 OD2 A:ASP257 4.2 29.0 1.0 N A:GLY261 4.3 30.6 1.0 CB A:ASP257 4.3 25.6 1.0 N A:ALA262 4.3 25.8 1.0 O A:GLY261 4.3 33.3 1.0 HA2 A:GLY261 4.3 38.8 1.0 N A:SER263 4.4 24.4 1.0 CA A:SER263 4.4 20.7 1.0 CA A:GLY261 4.5 32.3 1.0 N A:ALA258 4.5 28.2 1.0 HA A:ALA258 4.5 34.8 1.0 CA A:ALA262 4.6 19.1 1.0 H A:ALA262 4.6 31.0 1.0 OG A:SER260 4.7 39.0 1.0 HG A:SER260 4.7 46.8 1.0 HA A:SER260 4.7 44.9 1.0 H A:LEU264 4.8 28.7 1.0 HB3 A:ASP257 4.8 30.7 1.0 HD12 A:LEU264 4.8 36.8 1.0 CA A:ALA258 4.9 29.0 1.0 C A:ALA258 4.9 28.3 1.0 HB2 A:ASP257 5.0 30.7 1.0

Sodium binding site 2 out of 2 in the C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of C20S, C293G Mutant N-Terminal Human Atp Citrate Lyase Bound to 4R- Hydroxycitrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Na903 b:43.7 occ:1.00 O B:HOH1315 2.6 39.0 1.0 O B:SER260 2.6 35.8 1.0 OD1 B:ASP257 2.7 35.7 1.0 O B:ASP257 2.7 28.1 1.0 O B:ALA262 3.0 30.9 1.0 CG B:ASP257 3.5 34.2 1.0 HB2 B:SER260 3.6 49.7 1.0 C B:ASP257 3.7 31.2 1.0 C B:SER260 3.7 36.8 1.0 HA B:SER263 3.8 36.5 1.0 OD2 B:ASP257 3.9 26.0 1.0 H B:SER260 4.1 49.8 1.0 C B:ALA262 4.1 27.9 1.0 HA B:ASP257 4.2 41.2 1.0 O B:HOH1004 4.2 46.7 1.0 HA2 B:GLY261 4.3 35.3 1.0 O B:GLY261 4.3 36.2 1.0 CA B:ASP257 4.3 34.4 1.0 C B:GLY261 4.4 30.1 1.0 CB B:SER260 4.4 41.4 1.0 HA B:ALA258 4.4 41.8 1.0 CB B:ASP257 4.5 24.7 1.0 CA B:SER260 4.5 44.9 1.0 CA B:GLY261 4.7 29.4 1.0 CA B:SER263 4.7 30.4 1.0 N B:GLY261 4.7 32.1 1.0 HB3 B:SER260 4.7 49.7 1.0 N B:ALA258 4.7 32.3 1.0 N B:SER260 4.7 41.5 1.0 N B:SER263 4.8 26.4 1.0 HB3 B:ASP257 4.8 29.6 1.0 N B:ALA262 4.8 33.9 1.0 CA B:ALA258 5.0 34.8 1.0 H B:LEU264 5.0 33.2 1.0

J.Hu, A.Komakula, M.E.Fraser. Binding of Hydroxycitrate to Human Atp-Citrate Lyase. Acta Crystallogr D Struct V. 73 660 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28777081
DOI: 10.1107/S2059798317009871