Magnesium in PDB 8a4c: Structure of Human REP15:RAB3B Complex.

The structure of Structure of Human REP15:RAB3B Complex., PDB code: 8a4c was solved by A.Rai, I.R.Vetter, R.S.Goody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.10 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.81, 59.22, 109.02, 90, 111.9, 90
R / Rfree (%)	21.8 / 26.6

The binding sites of Magnesium atom in the Structure of Human REP15:RAB3B Complex. (pdb code 8a4c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Human REP15:RAB3B Complex., PDB code: 8a4c:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Human REP15:RAB3B Complex.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human REP15:RAB3B Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:48.4 occ:1.00 O1G B:GNP301 2.0 47.7 1.0 OG1 B:THR54 2.0 51.1 1.0 O B:HOH403 2.1 51.7 1.0 O2B B:GNP301 2.2 44.6 1.0 OG1 B:THR36 2.2 46.4 1.0 O B:HOH402 2.3 40.7 1.0 CB B:THR54 3.1 49.4 1.0 PG B:GNP301 3.2 47.6 1.0 N B:THR54 3.3 43.9 1.0 PB B:GNP301 3.3 47.0 1.0 CB B:THR36 3.4 38.9 1.0 N3B B:GNP301 3.4 50.4 1.0 CA B:THR54 3.7 46.0 1.0 OD2 B:ASP77 3.8 71.3 1.0 O2G B:GNP301 3.9 43.2 1.0 N B:THR36 4.1 41.9 1.0 O2A B:GNP301 4.1 47.6 1.0 OD1 B:ASP77 4.2 62.8 1.0 O B:VAL52 4.3 56.8 1.0 O1B B:GNP301 4.3 43.5 1.0 C B:SER53 4.3 49.2 1.0 CA B:THR36 4.3 38.0 1.0 CG2 B:THR54 4.3 45.4 1.0 CG2 B:THR36 4.3 40.0 1.0 O3G B:GNP301 4.4 54.3 1.0 CG B:ASP77 4.4 65.7 1.0 O3A B:GNP301 4.5 48.1 1.0 CA B:SER53 4.6 53.9 1.0 O B:THR78 4.6 55.5 1.0 PA B:GNP301 4.6 51.8 1.0 O1A B:GNP301 4.7 46.7 1.0

Magnesium binding site 2 out of 2 in the Structure of Human REP15:RAB3B Complex.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human REP15:RAB3B Complex. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:54.6 occ:1.00 O D:HOH402 2.1 56.0 1.0 O3G D:GNP301 2.1 51.1 1.0 OG1 D:THR36 2.2 50.6 1.0 OG1 D:THR54 2.2 59.0 1.0 O2B D:GNP301 2.2 48.6 1.0 O D:HOH407 2.5 45.5 1.0 CB D:THR54 2.8 52.6 1.0 CB D:THR36 3.3 46.1 1.0 N D:THR54 3.3 56.1 1.0 PG D:GNP301 3.4 53.7 1.0 PB D:GNP301 3.5 52.8 1.0 CA D:THR54 3.7 53.2 1.0 OD2 D:ASP77 3.7 66.2 1.0 N3B D:GNP301 3.7 51.3 1.0 OD1 D:ASP77 3.9 64.8 1.0 O1G D:GNP301 3.9 39.0 1.0 CG2 D:THR54 4.0 52.8 1.0 N D:THR36 4.1 48.0 1.0 CG D:ASP77 4.2 64.5 1.0 CG2 D:THR36 4.3 42.8 1.0 O D:THR78 4.3 57.9 1.0 CA D:THR36 4.3 51.5 1.0 C D:SER53 4.4 57.6 1.0 O1B D:GNP301 4.5 43.2 1.0 O2A D:GNP301 4.5 65.2 1.0 O2G D:GNP301 4.6 58.2 1.0 O3A D:GNP301 4.6 59.2 1.0 O1A D:GNP301 4.6 44.5 1.0 CA D:SER53 4.6 66.8 1.0 C D:THR54 4.7 53.8 1.0 O D:THR54 4.8 56.8 1.0 PA D:GNP301 4.8 50.4 1.0

A.Rai, A.K.Singh, N.Bleimling, G.Posern, I.R.Vetter, R.S.Goody. REP15 Interacts with Several Rab Gtpases and Has A Distinct Fold For A Rab Effector. Nat Commun V. 13 4262 2022.
ISSN: ESSN 2041-1723
PubMed: 35871249
DOI: 10.1038/S41467-022-31831-1