Magnesium in PDB 8p3j: Fusion HSLP2-A_RAB27A Non-Covalent Complex with Hit Fragment Imp-1704

All present enzymatic activity of Fusion HSLP2-A_RAB27A Non-Covalent Complex with Hit Fragment Imp-1704:
3.6.5.2;

The structure of Fusion HSLP2-A_RAB27A Non-Covalent Complex with Hit Fragment Imp-1704, PDB code: 8p3j 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)	63.88 / 2.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.436, 75.828, 118.53, 90, 90, 90
R / Rfree (%)	28.4 / 35.1

The binding sites of Magnesium atom in the Fusion HSLP2-A_RAB27A Non-Covalent Complex with Hit Fragment Imp-1704 (pdb code 8p3j). 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 Non-Covalent Complex with Hit Fragment Imp-1704, PDB code: 8p3j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Fusion HSLP2-A_RAB27A Non-Covalent Complex with 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 Non-Covalent Complex with Hit Fragment Imp-1704 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg205 b:21.1 occ:1.00 O1G A:GNP203 1.9 23.6 1.0 O2B A:GNP203 2.0 18.9 1.0 OG1 A:THR23 2.0 22.2 1.0 O A:HOH307 2.2 19.6 1.0 OG1 A:THR41 2.2 20.0 1.0 O A:HOH303 2.4 15.3 1.0 PG A:GNP203 3.2 16.8 1.0 CB A:THR23 3.3 16.6 1.0 PB A:GNP203 3.3 17.5 1.0 CB A:THR41 3.3 19.9 1.0 O1A A:GNP203 3.6 25.7 1.0 N3B A:GNP203 3.7 19.9 1.0 N A:THR23 3.7 12.3 1.0 N A:THR41 3.8 14.8 1.0 O3G A:GNP203 3.9 12.7 1.0 OD2 A:ASP74 4.0 19.9 1.0 OD1 A:ASP74 4.1 20.8 1.0 CA A:THR23 4.1 14.0 1.0 CA A:THR41 4.1 15.3 1.0 O1B A:GNP203 4.3 15.3 1.0 CG2 A:THR23 4.4 14.5 1.0 O3A A:GNP203 4.4 21.4 1.0 O2G A:GNP203 4.4 21.7 1.0 CG A:ASP74 4.4 19.0 1.0 PA A:GNP203 4.4 17.0 1.0 CG2 A:THR41 4.5 18.5 1.0 CB A:LYS22 4.6 16.6 1.0 O A:THR75 4.7 25.0 1.0 O A:ILE39 4.7 14.4 1.0 C A:THR40 4.8 11.0 1.0 C A:LYS22 4.8 10.9 1.0 O2A A:GNP203 4.9 20.7 1.0 CA A:THR40 5.0 22.0 1.0

Magnesium binding site 2 out of 2 in the Fusion HSLP2-A_RAB27A Non-Covalent Complex with 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 Non-Covalent Complex with Hit Fragment Imp-1704 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg206 b:8.3 occ:1.00 O B:HOH312 1.9 16.4 1.0 O1B B:GNP202 2.0 17.4 1.0 O1G B:GNP202 2.0 15.6 1.0 OG1 B:THR41 2.0 11.7 1.0 OG1 B:THR23 2.1 14.9 1.0 O B:HOH303 2.1 18.5 1.0 CB B:THR23 3.1 14.7 1.0 CB B:THR41 3.2 24.7 1.0 PG B:GNP202 3.2 18.8 1.0 PB B:GNP202 3.3 22.1 1.0 N3B B:GNP202 3.6 17.8 1.0 N B:THR41 3.7 22.0 1.0 O1A B:GNP202 3.8 12.0 1.0 O3G B:GNP202 3.9 20.2 1.0 CA B:THR41 4.0 20.7 1.0 CG2 B:THR23 4.0 3.2 1.0 N B:THR23 4.0 14.2 1.0 OD2 B:ASP74 4.1 19.6 1.0 OD1 B:ASP74 4.1 21.1 1.0 CA B:THR23 4.2 13.4 1.0 O3A B:GNP202 4.2 20.3 1.0 CG2 B:THR41 4.3 12.4 1.0 O2B B:GNP202 4.4 19.7 1.0 PA B:GNP202 4.4 20.0 1.0 O2G B:GNP202 4.4 21.7 1.0 O B:ILE39 4.5 22.5 1.0 CG B:ASP74 4.5 19.3 1.0 C B:THR40 4.5 20.3 1.0 O2A B:GNP202 4.6 17.3 1.0 CA B:THR40 4.7 18.9 1.0 O B:THR75 4.9 24.4 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.