Magnesium in PDB 5tdf: Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate

All present enzymatic activity of Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate:
2.3.3.8;

The structure of Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate, PDB code: 5tdf 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)	41.94 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.050, 83.870, 195.740, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19.1

The binding sites of Magnesium atom in the Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate (pdb code 5tdf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate, PDB code: 5tdf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:13.1 occ:1.00 O1B A:ADP902 2.1 19.2 1.0 O A:ASN203 2.2 17.8 1.0 O2A A:ADP902 2.2 19.8 1.0 O A:HOH1318 2.3 28.9 1.0 HOA2 A:ADP902 2.3 23.8 1.0 OD2 A:ASP216 2.3 21.4 1.0 O A:HOH1254 2.4 23.7 1.0 CG A:ASP216 3.3 19.6 1.0 PB A:ADP902 3.4 24.3 1.0 PA A:ADP902 3.4 19.0 1.0 C A:ASN203 3.4 15.8 1.0 HB3 A:ASP216 3.5 19.7 1.0 HB3 A:ASN203 3.6 21.7 1.0 HB2 A:ASP216 3.6 19.7 1.0 O3A A:ADP902 3.6 20.0 1.0 HD3 A:PRO204 3.7 22.4 1.0 CB A:ASP216 3.7 16.4 1.0 HD2 A:PRO204 4.1 22.4 1.0 O A:HOH1017 4.1 41.8 1.0 O A:HOH1002 4.2 33.2 1.0 HD22 A:ASN203 4.2 34.3 1.0 CD A:PRO204 4.2 18.7 1.0 HO3' A:ADP902 4.2 29.9 1.0 H5'2 A:ADP902 4.2 27.6 1.0 CB A:ASN203 4.2 18.1 1.0 O1A A:ADP902 4.2 24.3 1.0 O A:HOH1078 4.3 30.0 1.0 N A:PRO204 4.3 16.7 1.0 ND2 A:ASN203 4.3 28.6 1.0 CG A:ASN203 4.4 18.9 1.0 O3B A:ADP902 4.4 25.1 1.0 O A:HOH1279 4.4 18.3 1.0 CA A:ASN203 4.4 16.4 1.0 HH21 A:ARG66 4.4 23.7 1.0 O2B A:ADP902 4.4 20.0 1.0 OD1 A:ASP216 4.4 20.4 1.0 O3' A:ADP902 4.5 24.9 1.0 H A:ASN203 4.5 18.7 1.0 H3' A:ADP902 4.5 26.9 1.0 O A:HOH1260 4.6 38.9 1.0 O5' A:ADP902 4.6 19.4 1.0 HOB3 A:ADP902 4.7 30.1 1.0 HD21 A:ASN203 4.8 34.3 1.0 N A:ASN203 5.0 15.6 1.0 C5' A:ADP902 5.0 23.0 1.0 OD1 A:ASN203 5.0 23.4 1.0

Magnesium binding site 2 out of 2 in the Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tev Cleaved Human Atp Citrate Lyase Bound to 4S Hydroxycitrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:18.6 occ:1.00 O3P B:NEP760 2.0 14.6 1.0 O A:HOH1012 2.1 17.5 1.0 O A:HOH1223 2.1 19.9 1.0 O B:HOH1015 2.1 15.8 1.0 O A:HOH1033 2.1 15.5 1.0 O B:HOH1038 2.1 18.8 1.0 HD2 B:NEP760 3.2 15.6 1.0 H A:GLY282 3.3 17.1 1.0 P B:NEP760 3.3 14.9 1.0 HA3 A:GLY282 3.8 15.7 1.0 O6 A:7A3901 3.9 18.1 1.0 O2P B:NEP760 3.9 14.1 1.0 HG A:SER263 3.9 25.7 1.0 O B:HOH1080 4.0 30.1 1.0 CD2 B:NEP760 4.0 13.0 1.0 O B:HOH1057 4.0 17.5 1.0 O A:HOH1328 4.0 25.2 1.0 O B:HOH1290 4.0 22.5 1.0 OE2 A:GLU306 4.0 21.4 1.0 N A:GLY282 4.1 14.2 1.0 OG A:SER308 4.1 17.6 1.0 NE2 B:NEP760 4.1 14.6 1.0 OE2 B:GLU599 4.2 24.9 1.0 OE1 B:GLU599 4.2 26.7 1.0 O7 A:7A3901 4.3 22.1 1.0 CA A:GLY282 4.5 13.1 1.0 HG A:SER308 4.5 21.2 1.0 C5 A:7A3901 4.5 21.8 1.0 O1P B:NEP760 4.5 13.4 1.0 CD B:GLU599 4.5 27.1 1.0 HB3 A:SER263 4.7 23.9 1.0 OG A:SER263 4.7 21.4 1.0 HA2 A:GLY281 4.7 17.3 1.0 HB2 A:SER263 4.8 23.9 1.0 CD A:GLU306 4.8 19.4 1.0 HA B:NEP760 4.9 15.8 1.0 O B:HOH1144 4.9 29.2 1.0 HA2 A:GLY282 4.9 15.7 1.0 CB A:SER263 5.0 19.9 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