Magnesium in PDB 8p3g: Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704

All present enzymatic activity of Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704:
3.6.5.2;

The structure of Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704, PDB code: 8p3g was solved by E.De Vita, D.Brustur, M.Tersa, R.Petracca, R.M.L.Morgan, T.Lanyon-Hogg, J.C.Norman, E.Cota, E.W.Tate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.42 / 2.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.299, 76.031, 118.846, 90, 90, 90
R / Rfree (%)	19 / 24.1

The binding sites of Magnesium atom in the Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704 (pdb code 8p3g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704, PDB code: 8p3g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg206 b:18.1 occ:1.00 O1B A:GNP202 2.0 14.2 1.0 OG1 A:THR7 2.0 22.5 1.0 O3G A:GNP202 2.1 21.9 1.0 OG1 A:THR25 2.1 17.4 1.0 O A:HOH336 2.2 18.8 1.0 O A:HOH309 2.2 15.3 1.0 CB A:THR7 3.1 18.6 1.0 PB A:GNP202 3.2 19.1 1.0 CB A:THR25 3.2 17.9 1.0 PG A:GNP202 3.3 18.5 1.0 N3B A:GNP202 3.5 15.0 1.0 N A:THR25 3.8 20.2 1.0 N A:THR7 3.8 17.6 1.0 O2G A:GNP202 3.9 17.0 1.0 CA A:THR7 4.0 16.9 1.0 CA A:THR25 4.1 19.9 1.0 OD2 A:ASP58 4.1 19.4 1.0 O1A A:GNP202 4.1 18.9 1.0 OD1 A:ASP58 4.1 19.4 1.0 O A:HOH321 4.1 25.2 1.0 CG2 A:THR7 4.2 15.4 1.0 O2B A:GNP202 4.3 19.7 1.0 O3A A:GNP202 4.3 19.7 1.0 CG2 A:THR25 4.4 19.9 1.0 O1G A:GNP202 4.5 19.9 1.0 CG A:ASP58 4.5 22.2 1.0 PA A:GNP202 4.5 17.4 1.0 O A:THR59 4.6 20.0 1.0 O2A A:GNP202 4.7 14.1 1.0 O A:ILE23 4.7 19.2 1.0 C A:THR24 4.8 19.1 1.0 CB A:LYS6 4.9 13.9 1.0 CE A:LYS6 5.0 16.2 1.0 C A:LYS6 5.0 17.4 1.0

Magnesium binding site 2 out of 2 in the Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fusion HSLP2-A_RAB27A Bound to Covalent Hit Fragment Imp-1704 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg207 b:18.0 occ:1.00 O B:HOH327 2.0 20.1 1.0 O3G B:GNP202 2.0 20.2 1.0 OG1 B:THR10 2.1 21.3 1.0 OG1 B:THR28 2.1 21.2 1.0 O B:HOH338 2.1 22.2 1.0 O2B B:GNP202 2.1 20.6 1.0 CB B:THR28 3.1 21.7 1.0 CB B:THR10 3.2 25.5 1.0 PG B:GNP202 3.2 22.4 1.0 PB B:GNP202 3.4 21.6 1.0 N3B B:GNP202 3.6 21.4 1.0 N B:THR28 3.6 21.7 1.0 CA B:THR28 3.9 24.7 1.0 O1G B:GNP202 3.9 22.6 1.0 N B:THR10 4.0 22.1 1.0 OD2 B:ASP57 4.0 25.8 1.0 OD1 B:ASP57 4.1 23.5 1.0 O1A B:GNP202 4.1 16.2 1.0 CA B:THR10 4.1 19.9 1.0 O B:HOH321 4.2 24.6 1.0 CG2 B:THR10 4.2 25.2 1.0 CG2 B:THR28 4.3 17.8 1.0 O1B B:GNP202 4.4 20.6 1.0 CG B:ASP57 4.4 20.2 1.0 O2G B:GNP202 4.4 23.8 1.0 O3A B:GNP202 4.4 24.1 1.0 O B:ILE26 4.6 21.1 1.0 C B:THR27 4.6 22.8 1.0 PA B:GNP202 4.6 21.8 1.0 O2A B:GNP202 4.7 21.8 1.0 O B:THR58 4.7 23.1 1.0 CA B:THR27 4.9 23.9 1.0 O B:HOH320 5.0 27.2 1.0

E.De Vita, D.Brustur, M.Tersa, R.Petracca, R.M.L.Morgan, T.Lanyon-Hogg, J.C.Norman, E.Cota, E.W.Tate. Targeted Covalent Inhibitors of the Small Gtpase RAB27A To Be Published.