Magnesium in PDB 7opr: RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123

All present enzymatic activity of RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123:
3.6.5.2;

The structure of RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123, PDB code: 7opr was solved by M.Jamshidiha, M.Tersa, T.Lanyon-Hogg, I.Perez-Dorado, C.L.Sutherell, E.Devita, R.M.L.Morgan, E.W.Tate, E.Cota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.33 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.385, 76.663, 118.243, 90, 90, 90
R / Rfree (%)	18.3 / 25.5

The binding sites of Magnesium atom in the RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123 (pdb code 7opr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123, PDB code: 7opr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:20.6 occ:1.00 O2B A:GNP201 2.0 20.0 1.0 OG1 A:THR23 2.0 24.6 1.0 O A:HOH326 2.0 18.5 1.0 O3G A:GNP201 2.0 24.0 1.0 O A:HOH341 2.1 16.1 1.0 OG1 A:THR41 2.1 22.7 1.0 CB A:THR41 3.1 22.3 1.0 CB A:THR23 3.1 19.6 1.0 PG A:GNP201 3.3 22.3 1.0 PB A:GNP201 3.3 20.9 1.0 N3B A:GNP201 3.5 15.4 1.0 N A:THR41 3.8 21.3 1.0 N A:THR23 3.8 20.7 1.0 O1G A:GNP201 3.9 19.5 1.0 OD2 A:ASP74 3.9 21.9 1.0 OD1 A:ASP74 4.0 19.2 1.0 CA A:THR41 4.1 23.4 1.0 CA A:THR23 4.1 22.4 1.0 CG2 A:THR23 4.2 17.0 1.0 O1B A:GNP201 4.2 22.6 1.0 O2A A:GNP201 4.3 20.4 1.0 CG2 A:THR41 4.3 19.0 1.0 CG A:ASP74 4.4 20.7 1.0 O3A A:GNP201 4.4 25.9 1.0 O2G A:GNP201 4.5 26.3 1.0 O A:THR75 4.6 25.1 1.0 PA A:GNP201 4.7 18.6 1.0 O A:ILE39 4.7 23.4 1.0 C A:THR40 4.8 23.2 1.0 CE A:LYS22 4.8 16.5 1.0 O1A A:GNP201 4.9 22.4 1.0 CB A:LYS22 4.9 23.4 1.0 C A:LYS22 4.9 15.9 1.0

Magnesium binding site 2 out of 2 in the RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of RAB27A Fusion with SLP2A-RBDA1 Effector Covalent Adduct with CB1 in C123 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:20.7 occ:1.00 O3G B:GNP201 2.0 23.9 1.0 O B:HOH338 2.0 17.5 1.0 OG1 B:THR41 2.0 26.2 1.0 O B:HOH321 2.1 19.4 1.0 OG1 B:THR23 2.2 26.1 1.0 O2B B:GNP201 2.3 19.2 1.0 CB B:THR41 3.0 24.5 1.0 CB B:THR23 3.2 23.6 1.0 PG B:GNP201 3.2 21.8 1.0 PB B:GNP201 3.5 22.5 1.0 N B:THR41 3.6 22.1 1.0 N3B B:GNP201 3.6 22.5 1.0 CA B:THR41 3.8 27.6 1.0 OD2 B:ASP74 3.9 30.8 1.0 O1G B:GNP201 4.0 24.1 1.0 N B:THR23 4.0 20.6 1.0 CG2 B:THR41 4.1 20.6 1.0 CG2 B:THR23 4.2 20.2 1.0 OD1 B:ASP74 4.2 23.9 1.0 CA B:THR23 4.2 22.8 1.0 O B:HOH309 4.3 22.6 1.0 O2A B:GNP201 4.4 21.6 1.0 CG B:ASP74 4.4 27.6 1.0 O2G B:GNP201 4.5 20.4 1.0 O1B B:GNP201 4.5 21.3 1.0 C B:THR40 4.5 22.0 1.0 O3A B:GNP201 4.6 25.1 1.0 O B:ILE39 4.6 23.8 1.0 O B:THR75 4.7 26.2 1.0 PA B:GNP201 4.8 24.7 1.0 O1A B:GNP201 4.8 21.7 1.0 CA B:THR40 4.8 21.9 1.0 CE B:LYS22 5.0 20.4 1.0

M.Jamshidiha, T.Lanyon-Hogg, C.L.Sutherell, G.B.Craven, M.Tersa, E.De Vita, D.Brustur, I.Perez-Dorado, S.Hassan, R.Petracca, R.M.Morgan, M.Sanz-Hernandez, J.C.Norman, A.Armstrong, D.J.Mann, E.Cota, E.W.Tate. Identification of the First Structurally Validated Covalent Ligands of the Small Gtpase RAB27A. Rsc Med Chem V. 13 150 2022.
ISSN: ESSN 2632-8682
PubMed: 35308027
DOI: 10.1039/D1MD00225B