Magnesium in PDB 3zq6: Adp-ALF4 Complex of M. Therm. TRC40

All present enzymatic activity of Adp-ALF4 Complex of M. Therm. TRC40:
3.6.3.16;

The structure of Adp-ALF4 Complex of M. Therm. TRC40, PDB code: 3zq6 was solved by J.Sherrill, M.Mariappan, P.Dominik, R.S.Hegde, R.J.Keenan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.206 / 2.11
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	206.948, 49.768, 147.363, 90.00, 115.04, 90.00
R / Rfree (%)	17.3 / 22.14

The structure of Adp-ALF4 Complex of M. Therm. TRC40 also contains other interesting chemical elements:

Fluorine	(F)	16 atoms
Aluminium	(Al)	4 atoms
Potassium	(K)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Magnesium atom in the Adp-ALF4 Complex of M. Therm. TRC40 (pdb code 3zq6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Adp-ALF4 Complex of M. Therm. TRC40, PDB code: 3zq6:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Adp-ALF4 Complex of M. Therm. TRC40


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Adp-ALF4 Complex of M. Therm. TRC40 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:17.5 occ:1.00 F2 A:ALF402 2.0 18.2 1.0 O2B A:ADP401 2.0 15.2 1.0 O A:HOH4002 2.1 13.1 1.0 O A:HOH4003 2.1 16.8 1.0 OG1 A:THR28 2.1 13.8 1.0 O A:HOH4001 2.1 18.4 1.0 CB A:THR28 3.1 13.2 1.0 PB A:ADP401 3.2 15.4 1.0 F4 A:ALF402 3.3 18.6 1.0 O1B A:ADP401 3.3 14.6 1.0 AL A:ALF402 3.4 16.4 1.0 N A:THR28 3.7 17.2 1.0 CA A:THR28 4.0 11.0 1.0 OD2 A:ASP51 4.1 18.1 1.0 OD2 A:ASP145 4.1 23.3 1.0 O3A A:ADP401 4.1 14.8 1.0 OD1 A:ASP145 4.2 24.4 1.0 O3B A:ADP401 4.2 17.6 1.0 K A:K404 4.2 23.1 1.0 O2A A:ADP401 4.3 16.1 1.0 O A:HOH2020 4.3 19.9 1.0 CG2 A:THR28 4.3 14.1 1.0 O A:HOH2030 4.4 15.1 1.0 CB A:SER55 4.4 19.9 1.0 F3 A:ALF402 4.4 17.3 1.0 CB A:LYS27 4.4 17.6 1.0 CE A:LYS27 4.5 13.7 1.0 CG A:ASP145 4.5 24.4 1.0 OG A:SER55 4.6 16.5 1.0 PA A:ADP401 4.7 17.1 1.0 O A:THR146 4.7 14.7 1.0 C A:LYS27 4.7 17.6 1.0 O1A A:ADP401 4.8 17.3 1.0 NZ A:LYS27 4.8 14.9 1.0 F1 A:ALF402 5.0 19.7 1.0

Magnesium binding site 2 out of 4 in the Adp-ALF4 Complex of M. Therm. TRC40


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Adp-ALF4 Complex of M. Therm. TRC40 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:17.6 occ:1.00 F2 B:ALF402 2.0 18.6 1.0 O2B B:ADP401 2.1 13.8 1.0 O B:HOH4001 2.1 17.8 1.0 O B:HOH4003 2.1 17.0 1.0 O B:HOH4002 2.1 16.3 1.0 OG1 B:THR28 2.1 16.1 1.0 CB B:THR28 3.2 17.6 1.0 F4 B:ALF402 3.2 20.3 1.0 PB B:ADP401 3.3 15.1 1.0 O1B B:ADP401 3.3 11.9 1.0 AL B:ALF402 3.4 17.1 1.0 N B:THR28 3.8 19.0 1.0 CA B:THR28 4.0 16.9 1.0 OD1 B:ASP145 4.0 29.4 1.0 OD2 B:ASP145 4.1 26.5 1.0 OD2 B:ASP51 4.1 25.2 1.0 O B:HOH2019 4.1 17.5 1.0 O3A B:ADP401 4.2 17.4 1.0 O3B B:ADP401 4.2 16.1 1.0 O2A B:ADP401 4.3 13.9 1.0 O B:HOH2027 4.3 11.1 1.0 K B:K404 4.3 22.9 1.0 CG2 B:THR28 4.4 15.2 1.0 F3 B:ALF402 4.4 19.2 1.0 CB B:LYS27 4.4 9.4 1.0 CG B:ASP145 4.4 35.4 1.0 CB B:SER55 4.5 22.3 1.0 CE B:LYS27 4.5 14.1 1.0 O B:THR146 4.6 20.7 1.0 PA B:ADP401 4.7 15.5 1.0 C B:LYS27 4.7 16.7 1.0 O1A B:ADP401 4.7 20.3 1.0 OG B:SER55 4.7 21.0 1.0 NZ B:LYS27 4.9 18.1 1.0

Magnesium binding site 3 out of 4 in the Adp-ALF4 Complex of M. Therm. TRC40


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Adp-ALF4 Complex of M. Therm. TRC40 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:31.8 occ:1.00 F2 C:ALF402 2.0 27.9 1.0 O2B C:ADP401 2.1 24.4 1.0 OG1 C:THR28 2.1 30.4 1.0 O C:HOH4001 2.1 31.6 1.0 O C:HOH4003 2.1 39.2 1.0 O C:HOH4002 2.1 31.6 1.0 CB C:THR28 3.2 27.1 1.0 O1B C:ADP401 3.3 27.7 1.0 F4 C:ALF402 3.3 35.2 1.0 PB C:ADP401 3.3 28.0 1.0 AL C:ALF402 3.4 29.9 1.0 N C:THR28 3.8 30.9 1.0 OD2 C:ASP51 3.9 34.5 1.0 OD1 C:ASP145 4.0 39.9 1.0 OD2 C:ASP145 4.0 38.6 1.0 CA C:THR28 4.0 35.5 1.0 O3A C:ADP401 4.2 34.6 1.0 O3B C:ADP401 4.2 33.6 1.0 O C:HOH2014 4.3 31.3 1.0 K C:K404 4.3 40.1 1.0 CG2 C:THR28 4.3 27.8 1.0 O2A C:ADP401 4.3 30.6 1.0 O C:HOH2019 4.3 28.6 1.0 F3 C:ALF402 4.4 28.2 1.0 CG C:ASP145 4.4 36.1 1.0 CB C:SER55 4.4 33.9 1.0 CE C:LYS27 4.5 29.1 1.0 CB C:LYS27 4.6 26.6 1.0 O C:THR146 4.6 29.6 1.0 PA C:ADP401 4.7 34.8 1.0 O1A C:ADP401 4.8 33.7 1.0 C C:LYS27 4.8 28.6 1.0 NZ C:LYS27 4.8 27.6 1.0 OG C:SER55 4.8 36.1 1.0 CG C:ASP51 5.0 35.4 1.0

Magnesium binding site 4 out of 4 in the Adp-ALF4 Complex of M. Therm. TRC40


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Adp-ALF4 Complex of M. Therm. TRC40 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg403 b:33.1 occ:1.00 F2 D:ALF402 2.0 42.9 1.0 O2B D:ADP401 2.1 30.1 1.0 OG1 D:THR28 2.1 27.0 1.0 O D:HOH4003 2.1 32.8 1.0 O D:HOH4002 2.1 37.9 1.0 O D:HOH4001 2.1 31.6 1.0 CB D:THR28 3.0 31.1 1.0 F4 D:ALF402 3.2 35.8 1.0 PB D:ADP401 3.3 34.9 1.0 O1B D:ADP401 3.3 23.5 1.0 AL D:ALF402 3.4 33.7 1.0 N D:THR28 3.6 37.8 1.0 CA D:THR28 3.8 33.5 1.0 OD1 D:ASP145 4.1 49.5 1.0 OD2 D:ASP145 4.1 44.5 1.0 OD2 D:ASP51 4.1 30.4 1.0 O3A D:ADP401 4.1 37.6 1.0 O D:HOH2006 4.1 46.1 1.0 O3B D:ADP401 4.2 36.7 1.0 CG2 D:THR28 4.2 35.6 1.0 O2A D:ADP401 4.3 39.3 1.0 O D:HOH2010 4.3 27.6 1.0 K D:K404 4.4 38.1 1.0 F3 D:ALF402 4.4 36.9 1.0 CB D:SER55 4.5 42.9 1.0 CB D:LYS27 4.5 32.0 1.0 CE D:LYS27 4.5 37.5 1.0 CG D:ASP145 4.5 49.4 1.0 O1A D:ADP401 4.6 36.3 1.0 C D:LYS27 4.6 40.5 1.0 O D:THR146 4.6 36.9 1.0 PA D:ADP401 4.6 35.5 1.0 NZ D:LYS27 4.8 35.6 1.0 OG D:SER55 4.8 36.2 1.0 CA D:LYS27 5.0 30.8 1.0

J.Sherrill, M.Mariappan, P.Dominik, R.S.Hegde, R.J.Keenan. A Conserved Archaeal Pathway For Tail-Anchored Membrane Protein Insertion. Traffic V. 12 1119 2011.
ISSN: ISSN 1398-9219
PubMed: 21658170
DOI: 10.1111/J.1600-0854.2011.01229.X