Magnesium in PDB 8a4b: Structure of Human REP15:RAB3B_Q81L Complex.

The structure of Structure of Human REP15:RAB3B_Q81L Complex., PDB code: 8a4b 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)	49.54 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.84, 107.96, 91.1, 90, 106.47, 90
R / Rfree (%)	22.3 / 26.9

The binding sites of Magnesium atom in the Structure of Human REP15:RAB3B_Q81L Complex. (pdb code 8a4b). 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_Q81L Complex., PDB code: 8a4b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Human REP15:RAB3B_Q81L 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_Q81L Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:71.6 occ:1.00 O3G B:GTP201 1.9 78.1 1.0 O B:HOH302 2.1 70.2 1.0 O B:HOH301 2.1 63.8 1.0 OG1 B:THR36 2.2 66.7 1.0 O2B B:GTP201 2.3 69.2 1.0 OG1 B:THR54 2.4 74.1 1.0 CB B:THR54 3.1 75.3 1.0 PG B:GTP201 3.2 88.9 1.0 N B:THR54 3.3 76.8 1.0 CB B:THR36 3.3 62.1 1.0 PB B:GTP201 3.6 65.2 1.0 O3B B:GTP201 3.7 80.8 1.0 CA B:THR54 3.7 78.0 1.0 OD2 B:ASP77 3.8 71.9 1.0 O1G B:GTP201 3.9 65.8 1.0 O2A B:GTP201 4.0 72.7 1.0 O B:VAL52 4.1 81.9 1.0 OD1 B:ASP77 4.1 71.9 1.0 N B:THR36 4.2 62.9 1.0 C B:SER53 4.2 77.8 1.0 CG2 B:THR36 4.3 64.6 1.0 CA B:THR36 4.3 62.9 1.0 CG B:ASP77 4.3 70.8 1.0 O2G B:GTP201 4.4 71.3 1.0 CA B:SER53 4.4 79.1 1.0 CG2 B:THR54 4.4 69.7 1.0 O1B B:GTP201 4.5 62.5 1.0 O3A B:GTP201 4.6 69.8 1.0 PA B:GTP201 4.7 70.8 1.0 O1A B:GTP201 4.8 65.5 1.0 O B:THR78 4.8 67.8 1.0

Magnesium binding site 2 out of 2 in the Structure of Human REP15:RAB3B_Q81L 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_Q81L Complex. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:75.6 occ:1.00 O2G D:GTP201 1.9 120.5 1.0 OG1 D:THR36 2.0 81.8 1.0 O D:HOH301 2.1 84.4 1.0 OG1 D:THR54 2.4 82.7 1.0 O D:HOH302 2.4 70.6 1.0 O2B D:GTP201 2.6 71.1 1.0 CB D:THR36 3.1 69.9 1.0 N D:THR54 3.2 84.0 1.0 PG D:GTP201 3.3 107.0 1.0 CB D:THR54 3.4 82.0 1.0 PB D:GTP201 3.5 66.7 1.0 O D:VAL52 3.6 85.9 1.0 O3A D:GTP201 3.7 75.6 1.0 O2A D:GTP201 3.7 71.1 1.0 O3B D:GTP201 3.8 87.3 1.0 CA D:THR54 3.8 83.2 1.0 OD2 D:ASP77 3.9 78.9 1.0 CG2 D:THR36 3.9 70.4 1.0 C D:SER53 4.0 83.2 1.0 O1G D:GTP201 4.1 89.2 1.0 CA D:SER53 4.2 86.4 1.0 N D:THR36 4.2 64.4 1.0 CA D:THR36 4.2 64.3 1.0 O3G D:GTP201 4.2 98.2 1.0 PA D:GTP201 4.3 73.9 1.0 OD1 D:ASP77 4.4 75.1 1.0 CG D:ASP77 4.6 76.4 1.0 C D:VAL52 4.6 88.6 1.0 CG2 D:THR54 4.7 75.8 1.0 O1B D:GTP201 4.9 64.0 1.0 O1A D:GTP201 4.9 66.2 1.0 N D:SER53 4.9 91.6 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