Magnesium in PDB 8p3k: Fusion HSLP2-A_RAB27A Non-Covalent Complex with Compound Imp-2505

All present enzymatic activity of Fusion HSLP2-A_RAB27A Non-Covalent Complex with Compound Imp-2505:
3.6.5.2;

The structure of Fusion HSLP2-A_RAB27A Non-Covalent Complex with Compound Imp-2505, PDB code: 8p3k 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)	54.09 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.896, 76.536, 117.795, 90, 90, 90
R / Rfree (%)	23.8 / 31.5

The binding sites of Magnesium atom in the Fusion HSLP2-A_RAB27A Non-Covalent Complex with Compound Imp-2505 (pdb code 8p3k). 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 Compound Imp-2505, PDB code: 8p3k:
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 Compound Imp-2505


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 Compound Imp-2505 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:30.1 occ:1.00 O1B A:GNP301 1.8 26.5 1.0 OG1 A:THR23 2.1 34.3 1.0 O A:HOH402 2.3 26.0 1.0 OG1 A:THR41 2.3 30.6 1.0 O2G A:GNP301 2.5 30.6 1.0 O A:HOH403 2.6 36.0 1.0 CB A:THR23 3.0 36.2 1.0 PB A:GNP301 3.1 32.8 1.0 N A:THR23 3.3 24.3 1.0 OD2 A:ASP74 3.4 35.1 1.0 PG A:GNP301 3.6 37.0 1.0 CB A:THR41 3.7 31.3 1.0 CA A:THR23 3.7 35.2 1.0 O3A A:GNP301 3.7 35.3 1.0 N3B A:GNP301 3.7 32.2 1.0 OD1 A:ASP74 3.8 29.4 1.0 O2A A:GNP301 3.8 34.7 1.0 CG A:ASP74 4.0 31.9 1.0 N A:THR41 4.1 25.1 1.0 O2B A:GNP301 4.2 29.0 1.0 CG2 A:THR23 4.3 33.9 1.0 PA A:GNP301 4.3 38.3 1.0 CB A:LYS22 4.4 33.6 1.0 O1G A:GNP301 4.4 38.5 1.0 C A:LYS22 4.5 26.6 1.0 CA A:THR41 4.5 31.9 1.0 O A:ILE39 4.6 33.6 1.0 CG2 A:THR41 4.6 30.6 1.0 O1A A:GNP301 4.7 28.0 1.0 O3G A:GNP301 4.8 27.8 1.0 CA A:LYS22 4.8 33.6 1.0 CE A:LYS22 4.9 31.6 1.0 N A:LYS22 4.9 40.2 1.0 C A:THR23 5.0 33.6 1.0

Magnesium binding site 2 out of 2 in the Fusion HSLP2-A_RAB27A Non-Covalent Complex with Compound Imp-2505


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 Compound Imp-2505 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg209 b:42.7 occ:1.00 O B:HOH302 1.9 39.4 1.0 O3G B:GNP202 1.9 32.5 1.0 O1B B:GNP202 2.1 34.0 1.0 OG1 B:THR23 2.2 37.7 1.0 O B:HOH303 2.4 34.6 1.0 OG1 B:THR41 2.6 33.0 1.0 PG B:GNP202 3.0 44.8 1.0 PB B:GNP202 3.0 36.8 1.0 N3B B:GNP202 3.0 40.0 1.0 CB B:THR23 3.1 36.0 1.0 O1A B:GNP202 3.4 35.9 1.0 N B:THR23 3.5 36.6 1.0 CB B:THR41 3.8 39.3 1.0 PA B:GNP202 3.9 39.4 1.0 O3A B:GNP202 3.9 44.7 1.0 O2A B:GNP202 3.9 34.0 1.0 CA B:THR23 3.9 36.6 1.0 O1G B:GNP202 4.0 37.7 1.0 N B:THR41 4.0 36.6 1.0 OD2 B:ASP74 4.1 36.0 1.0 O2G B:GNP202 4.1 38.0 1.0 OD1 B:ASP74 4.2 33.8 1.0 O2B B:GNP202 4.3 40.7 1.0 CG2 B:THR23 4.4 27.5 1.0 CA B:THR41 4.4 38.0 1.0 O B:ILE39 4.5 39.0 1.0 CB B:LYS22 4.5 40.2 1.0 CG B:ASP74 4.6 36.9 1.0 C B:LYS22 4.6 35.7 1.0 N B:LYS22 4.8 39.9 1.0 C B:THR40 4.9 34.0 1.0 CA B:LYS22 4.9 38.6 1.0 CA B:THR40 5.0 40.3 1.0 CG2 B:THR41 5.0 33.4 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.