Magnesium in PDB 8pu4: FAREL2 Bound to the Atp Analogue, Apcpp

The structure of FAREL2 Bound to the Atp Analogue, Apcpp, PDB code: 8pu4 was solved by A.Garcia-Pino, A.Talavera Perez, L.Dominguez Molina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.05 / 2.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.498, 60.581, 177.157, 90, 90.59, 90
R / Rfree (%)	19.4 / 25.5

The binding sites of Magnesium atom in the FAREL2 Bound to the Atp Analogue, Apcpp (pdb code 8pu4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the FAREL2 Bound to the Atp Analogue, Apcpp, PDB code: 8pu4:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the FAREL2 Bound to the Atp Analogue, Apcpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of FAREL2 Bound to the Atp Analogue, Apcpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:41.7 occ:1.00 O1B A:DOU301 2.0 54.0 1.0 O A:HOH403 2.2 48.1 1.0 O3G A:DOU301 2.4 48.1 1.0 OD2 A:ASP90 2.6 51.9 1.0 O A:HOH412 3.0 57.4 1.0 PB A:DOU301 3.3 54.5 1.0 OE1 A:GLU145 3.4 49.3 1.0 O3B A:DOU301 3.6 62.0 1.0 CG A:ASP90 3.6 49.8 1.0 PG A:DOU301 3.6 58.3 1.0 OE2 A:GLU145 3.8 53.6 1.0 N7 A:DOU301 3.9 55.4 1.0 CB A:ASP90 3.9 46.7 1.0 O2B A:DOU301 4.0 57.6 1.0 CD A:GLU145 4.0 49.7 1.0 NE2 A:GLN147 4.1 55.5 1.0 C8 A:DOU301 4.4 55.9 1.0 NZ A:LYS66 4.5 44.0 1.0 O1G A:DOU301 4.5 50.4 1.0 NH1 A:ARG64 4.6 35.9 1.0 C3A A:DOU301 4.7 51.9 1.0 OD1 A:ASP90 4.7 50.0 1.0 O2G A:DOU301 4.7 66.5 1.0 NH2 A:ARG64 4.7 38.7 1.0 O A:HOH410 4.8 54.4 1.0 O A:HOH431 4.8 40.4 1.0 CZ A:ARG64 4.9 39.4 1.0 O2A A:DOU301 4.9 57.5 1.0

Magnesium binding site 2 out of 3 in the FAREL2 Bound to the Atp Analogue, Apcpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of FAREL2 Bound to the Atp Analogue, Apcpp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:34.2 occ:1.00 OD2 B:ASP90 2.3 53.1 1.0 O3G B:DOU301 2.4 41.4 1.0 O1B B:DOU301 2.5 40.7 1.0 CG B:ASP90 3.3 53.1 1.0 OE2 B:GLU145 3.4 45.3 1.0 PB B:DOU301 3.5 35.4 1.0 O3B B:DOU301 3.6 49.1 1.0 PG B:DOU301 3.6 43.0 1.0 CB B:ASP90 3.7 50.9 1.0 N7 B:DOU301 3.8 44.7 1.0 NE2 B:GLN147 3.8 41.1 1.0 NH2 B:ARG64 3.9 34.6 1.0 OE1 B:GLU145 3.9 46.2 1.0 O2B B:DOU301 4.1 41.6 1.0 CD B:GLU145 4.1 45.9 1.0 O B:HOH414 4.1 61.7 1.0 C8 B:DOU301 4.2 43.2 1.0 NZ B:LYS66 4.2 33.1 1.0 OD1 B:ASP90 4.3 49.3 1.0 O2G B:DOU301 4.5 37.6 1.0 O1G B:DOU301 4.8 37.9 1.0

Magnesium binding site 3 out of 3 in the FAREL2 Bound to the Atp Analogue, Apcpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of FAREL2 Bound to the Atp Analogue, Apcpp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:38.0 occ:1.00 OD2 C:ASP90 2.2 47.4 1.0 O1B C:DOU301 2.5 47.0 1.0 O1G C:DOU301 2.7 48.4 1.0 OE1 C:GLU145 3.2 43.1 1.0 CG C:ASP90 3.2 46.9 1.0 OE2 C:GLU145 3.6 37.0 1.0 CB C:ASP90 3.6 44.8 1.0 PB C:DOU301 3.6 41.6 1.0 N7 C:DOU301 3.8 40.6 1.0 CD C:GLU145 3.8 40.5 1.0 O3B C:DOU301 3.8 54.1 1.0 PG C:DOU301 3.9 51.3 1.0 O C:HOH414 3.9 60.5 1.0 NE2 C:GLN147 3.9 45.4 1.0 O2B C:DOU301 4.0 45.3 1.0 NH1 C:ARG64 4.0 30.8 1.0 C8 C:DOU301 4.3 41.8 1.0 OD1 C:ASP90 4.4 43.4 1.0 NH2 C:ARG64 4.4 34.5 1.0 NZ C:LYS74 4.6 37.2 1.0 CZ C:ARG64 4.6 30.6 1.0 O2G C:DOU301 4.9 38.7 1.0 O3G C:DOU301 5.0 53.9 1.0

A.Garcia-Pino, A.Talavera Perez, L.Dominguez Molina. FAREL2 Bound to the Atp Analogue, Apcpp To Be Published.