Magnesium in PDB 8spw: PS3 F1 Rotorless, Low Atp

All present enzymatic activity of PS3 F1 Rotorless, Low Atp:
7.1.2.2;

The binding sites of Magnesium atom in the PS3 F1 Rotorless, Low Atp (pdb code 8spw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the PS3 F1 Rotorless, Low Atp, PDB code: 8spw:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the PS3 F1 Rotorless, Low Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PS3 F1 Rotorless, Low Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:19.4 occ:1.00 O1G A:ATP600 2.5 16.8 1.0 O2B A:ATP600 2.6 16.8 1.0 PB A:ATP600 3.0 16.8 1.0 O1B A:ATP600 3.1 16.8 1.0 PG A:ATP600 3.1 16.8 1.0 O3B A:ATP600 3.2 16.8 1.0 NZ A:LYS175 3.3 14.6 1.0 O2G A:ATP600 3.5 16.8 1.0 CE A:LYS175 3.9 14.6 1.0 OD2 A:ASP262 4.3 10.7 1.0 OD1 A:ASP262 4.5 10.7 1.0 O3A A:ATP600 4.6 16.8 1.0 O3G A:ATP600 4.6 16.8 1.0 CD A:LYS175 4.7 14.6 1.0 CG A:ASP262 4.8 10.7 1.0 O A:ASP261 5.0 12.4 1.0

Magnesium binding site 2 out of 5 in the PS3 F1 Rotorless, Low Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of PS3 F1 Rotorless, Low Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:68.7 occ:1.00 O2G B:ATP600 1.9 73.8 1.0 O1B B:ATP600 2.2 73.8 1.0 O1A B:ATP600 2.2 73.8 1.0 OG1 B:THR176 2.4 36.2 1.0 PB B:ATP600 2.6 73.8 1.0 O3A B:ATP600 2.8 73.8 1.0 PA B:ATP600 2.8 73.8 1.0 O3B B:ATP600 2.8 73.8 1.0 PG B:ATP600 2.9 73.8 1.0 CB B:THR176 3.1 36.2 1.0 O2A B:ATP600 3.2 73.8 1.0 O3G B:ATP600 3.6 73.8 1.0 N B:THR176 3.7 36.2 1.0 CA B:THR176 4.0 36.2 1.0 O1G B:ATP600 4.2 73.8 1.0 O2B B:ATP600 4.2 73.8 1.0 CG2 B:THR176 4.2 36.2 1.0 O5' B:ATP600 4.3 73.8 1.0 N B:LYS175 4.9 39.5 1.0 C B:LYS175 4.9 39.5 1.0

Magnesium binding site 3 out of 5 in the PS3 F1 Rotorless, Low Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of PS3 F1 Rotorless, Low Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:69.8 occ:1.00 OG1 C:THR176 2.0 36.1 1.0 O1A C:ATP600 2.1 62.5 1.0 O1G C:ATP600 2.1 62.5 1.0 O2G C:ATP600 2.1 62.5 1.0 PG C:ATP600 2.4 62.5 1.0 CB C:THR176 2.9 36.1 1.0 O3B C:ATP600 3.0 62.5 1.0 PA C:ATP600 3.3 62.5 1.0 CG2 C:THR176 3.7 36.1 1.0 O3A C:ATP600 3.8 62.5 1.0 O3G C:ATP600 3.8 62.5 1.0 O2A C:ATP600 4.0 62.5 1.0 PB C:ATP600 4.1 62.5 1.0 CA C:THR176 4.2 36.1 1.0 N C:THR176 4.2 36.1 1.0 O5' C:ATP600 4.6 62.5 1.0 O2B C:ATP600 4.9 62.5 1.0

Magnesium binding site 4 out of 5 in the PS3 F1 Rotorless, Low Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of PS3 F1 Rotorless, Low Atp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:9.3 occ:1.00 O2B D:ATP500 1.9 11.2 1.0 O1G D:ATP500 2.2 11.2 1.0 O1A D:ATP500 2.3 11.2 1.0 PB D:ATP500 2.3 11.2 1.0 OG1 D:THR165 2.3 8.2 1.0 PG D:ATP500 2.3 11.2 1.0 O3B D:ATP500 2.4 11.2 1.0 O3A D:ATP500 2.4 11.2 1.0 O3G D:ATP500 2.5 11.2 1.0 PA D:ATP500 2.7 11.2 1.0 CB D:THR165 3.3 8.2 1.0 O2A D:ATP500 3.4 11.2 1.0 O1B D:ATP500 3.8 11.2 1.0 N D:THR165 3.8 8.2 1.0 O2G D:ATP500 3.9 11.2 1.0 O5' D:ATP500 4.1 11.2 1.0 NH1 C:ARG365 4.1 9.4 1.0 CA D:THR165 4.2 8.2 1.0 CG2 D:THR165 4.4 8.2 1.0 NH2 C:ARG365 4.5 9.4 1.0 CZ C:ARG365 4.6 9.4 1.0 N D:LYS164 4.9 7.0 1.0 C D:LYS164 4.9 7.0 1.0 CB D:LYS164 5.0 7.0 1.0 NH2 D:ARG191 5.0 8.1 1.0

Magnesium binding site 5 out of 5 in the PS3 F1 Rotorless, Low Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of PS3 F1 Rotorless, Low Atp within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg502 b:25.0 occ:1.00 O3 E:PO4501 1.8 26.2 1.0 O3B E:ADP500 1.9 26.0 1.0 O2B E:ADP500 2.0 26.0 1.0 PB E:ADP500 2.3 26.0 1.0 P E:PO4501 2.3 26.2 1.0 O4 E:PO4501 2.4 26.2 1.0 OG1 E:THR165 2.5 28.2 1.0 O1 E:PO4501 2.6 26.2 1.0 O1A E:ADP500 3.3 26.0 1.0 O1B E:ADP500 3.4 26.0 1.0 O3A E:ADP500 3.5 26.0 1.0 NZ E:LYS164 3.5 23.6 1.0 O2 E:PO4501 3.7 26.2 1.0 PA E:ADP500 3.8 26.0 1.0 CB E:THR165 3.9 28.2 1.0 N E:THR165 4.0 28.2 1.0 CE E:LYS164 4.1 23.6 1.0 O2A E:ADP500 4.3 26.0 1.0 CA E:THR165 4.6 28.2 1.0 CB E:LYS164 4.6 23.6 1.0 CG2 E:THR165 4.8 28.2 1.0 CD A:ARG365 4.9 10.4 1.0 N E:LYS164 4.9 23.6 1.0 C E:LYS164 5.0 23.6 1.0

M.Sobti, H.Ueno, S.H.J.Brown, H.Noji, A.G.Stewart. The Series of Conformational States Adopted By Rotorless F 1 -Atpase During Its Hydrolysis Cycle. Structure 2024.
ISSN: ISSN 0969-2126
PubMed: 38237595
DOI: 10.1016/J.STR.2023.12.014