Magnesium in PDB 7opp: Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting

All present enzymatic activity of Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting:
3.6.5.2;

The structure of Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting, PDB code: 7opp 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)	58.85 / 2.32
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.71, 117.71, 115.67, 90, 90, 120
R / Rfree (%)	16.2 / 20.1

The binding sites of Magnesium atom in the Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting (pdb code 7opp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting, PDB code: 7opp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:26.4 occ:1.00 OG1 A:THR41 1.9 30.3 1.0 O3G A:GNP201 2.0 24.8 1.0 OG1 A:THR23 2.0 28.5 1.0 O A:HOH325 2.1 24.1 1.0 O2B A:GNP201 2.1 25.4 1.0 O A:HOH323 2.2 25.1 1.0 CB A:THR41 3.1 26.6 1.0 CB A:THR23 3.1 30.8 1.0 PG A:GNP201 3.3 24.8 1.0 PB A:GNP201 3.4 25.9 1.0 N3B A:GNP201 3.6 28.5 1.0 N A:THR41 3.6 26.4 1.0 CA A:THR41 3.9 24.3 1.0 N A:THR23 3.9 26.9 1.0 O1G A:GNP201 4.0 27.9 1.0 OD2 A:ASP74 4.0 33.3 1.0 O2A A:GNP201 4.1 25.0 1.0 CA A:THR23 4.1 31.9 1.0 CG2 A:THR23 4.2 27.4 1.0 O A:HOH344 4.2 29.3 1.0 CG2 A:THR41 4.2 26.1 1.0 OD1 A:ASP74 4.2 28.6 1.0 O1B A:GNP201 4.4 26.0 1.0 O3A A:GNP201 4.4 32.1 1.0 O2G A:GNP201 4.5 27.6 1.0 CG A:ASP74 4.5 25.9 1.0 O A:ILE39 4.5 27.8 1.0 PA A:GNP201 4.6 26.1 1.0 C A:THR40 4.6 30.3 1.0 O1A A:GNP201 4.7 24.1 1.0 O A:THR75 4.8 28.5 1.0 CA A:THR40 4.9 28.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the RAB27A Fusion with SLP2A-RBDA1 Effector For SF4 Pocket Drug Targeting within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:29.7 occ:1.00 O3G C:GNP201 2.0 26.5 1.0 O2B C:GNP201 2.0 25.8 1.0 OG1 C:THR41 2.1 27.5 1.0 OG1 C:THR23 2.1 26.7 1.0 O C:HOH313 2.1 27.8 1.0 O C:HOH335 2.1 26.6 1.0 CB C:THR41 3.1 33.0 1.0 CB C:THR23 3.1 28.6 1.0 PB C:GNP201 3.2 25.5 1.0 PG C:GNP201 3.2 24.6 1.0 N3B C:GNP201 3.5 27.2 1.0 N C:THR41 3.7 28.6 1.0 N C:THR23 3.9 30.5 1.0 CA C:THR41 4.0 27.0 1.0 O2G C:GNP201 4.0 27.7 1.0 OD2 C:ASP74 4.1 31.7 1.0 CA C:THR23 4.1 29.1 1.0 O2A C:GNP201 4.1 22.2 1.0 OD1 C:ASP74 4.2 32.9 1.0 CG2 C:THR23 4.2 26.9 1.0 O C:HOH320 4.2 32.0 1.0 O1B C:GNP201 4.3 24.5 1.0 CG2 C:THR41 4.3 25.1 1.0 O3A C:GNP201 4.3 31.8 1.0 O1G C:GNP201 4.4 25.7 1.0 CG C:ASP74 4.5 30.9 1.0 PA C:GNP201 4.5 26.9 1.0 O C:ILE39 4.6 29.7 1.0 O1A C:GNP201 4.6 25.8 1.0 C C:THR40 4.7 28.8 1.0 O C:THR75 4.8 30.7 1.0 CA C:THR40 4.9 29.3 1.0 CE C:LYS22 4.9 32.9 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