Magnesium in PDB 8spx: PS3 F1 Rotorless, High Atp

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

The binding sites of Magnesium atom in the PS3 F1 Rotorless, High Atp (pdb code 8spx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the PS3 F1 Rotorless, High Atp, PDB code: 8spx:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the PS3 F1 Rotorless, High 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, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:22.2 occ:1.00 O3B A:ATP600 2.2 29.4 1.0 O1B A:ATP600 2.3 29.4 1.0 PB A:ATP600 2.7 29.4 1.0 OG1 A:THR176 3.0 22.4 1.0 PG A:ATP600 3.4 29.4 1.0 O2G A:ATP600 3.6 29.4 1.0 O3G A:ATP600 3.6 29.4 1.0 O3A A:ATP600 3.8 29.4 1.0 O2B A:ATP600 3.9 29.4 1.0 CB A:THR176 4.1 22.4 1.0 NZ A:LYS175 4.1 22.9 1.0 O1A A:ATP600 4.2 29.4 1.0 PA A:ATP600 4.4 29.4 1.0 O1G A:ATP600 4.7 29.4 1.0 O2A A:ATP600 4.7 29.4 1.0 OD2 A:ASP261 4.8 14.6 1.0 N A:THR176 4.9 22.4 1.0 CG2 A:THR176 4.9 22.4 1.0

Magnesium binding site 2 out of 6 in the PS3 F1 Rotorless, High 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, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:13.7 occ:1.00 OD2 B:ASP261 3.4 12.3 1.0 O3G B:ATP600 3.6 17.0 1.0 OE1 B:GLN200 3.9 12.6 1.0 CD B:GLN200 4.1 12.6 1.0 CG B:ASP261 4.2 12.3 1.0 OG1 B:THR176 4.4 14.2 1.0 OD1 B:ASP261 4.5 12.3 1.0 NE2 B:GLN200 4.5 12.6 1.0 CG B:GLN200 4.6 12.6 1.0 O1B B:ATP600 4.8 17.0 1.0

Magnesium binding site 3 out of 6 in the PS3 F1 Rotorless, High 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, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:18.7 occ:1.00 OG1 C:THR176 2.7 21.8 1.0 O2G C:ATP600 3.0 32.0 1.0 NE2 C:GLN200 3.0 14.2 1.0 OD1 C:ASP261 3.4 12.5 1.0 O3G C:ATP600 3.7 32.0 1.0 O1B C:ATP600 4.0 32.0 1.0 PG C:ATP600 4.0 32.0 1.0 CB C:THR176 4.0 21.8 1.0 CD C:GLN200 4.3 14.2 1.0 CG C:ASP261 4.4 12.5 1.0 CG2 C:THR176 4.4 21.8 1.0 OD2 C:ASP261 4.6 12.5 1.0 O3B C:ATP600 4.7 32.0 1.0 OE1 C:GLN200 4.9 14.2 1.0 O C:ASP261 4.9 12.5 1.0 PB C:ATP600 5.0 32.0 1.0

Magnesium binding site 4 out of 6 in the PS3 F1 Rotorless, High 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, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:24.3 occ:1.00 O1G D:ATP500 2.0 21.8 1.0 OG1 D:THR165 2.0 20.1 1.0 CB D:THR165 2.4 20.1 1.0 PG D:ATP500 2.8 21.8 1.0 CG2 D:THR165 2.9 20.1 1.0 O3G D:ATP500 3.0 21.8 1.0 O3B D:ATP500 3.3 21.8 1.0 O2A D:ATP500 3.7 21.8 1.0 NH1 D:ARG191 3.8 15.6 1.0 CA D:THR165 3.9 20.1 1.0 OE2 D:GLU190 4.0 16.8 1.0 O2G D:ATP500 4.3 21.8 1.0 N D:THR165 4.3 20.1 1.0 OE2 D:GLU194 4.4 19.8 1.0 CG D:GLU194 4.5 19.8 1.0 CD D:GLU190 4.6 16.8 1.0 PA D:ATP500 4.7 21.8 1.0 O1A D:ATP500 4.7 21.8 1.0 CD D:GLU194 4.8 19.8 1.0 PB D:ATP500 4.8 21.8 1.0 C D:THR165 4.9 20.1 1.0 CG D:GLU190 4.9 16.8 1.0

Magnesium binding site 5 out of 6 in the PS3 F1 Rotorless, High 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, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg501 b:11.3 occ:1.00 O1G E:ATP500 2.8 12.6 1.0 ND2 E:ASN253 3.1 11.2 1.0 OG1 E:THR165 3.7 11.1 1.0 PG E:ATP500 3.9 12.6 1.0 O3G E:ATP500 4.0 12.6 1.0 CG E:GLU190 4.0 15.6 1.0 CG E:ASN253 4.1 11.2 1.0 OD1 E:ASP252 4.2 11.8 1.0 OD2 E:ASP252 4.2 11.8 1.0 O2B E:ATP500 4.3 12.6 1.0 CG E:ASP252 4.4 11.8 1.0 NE E:ARG191 4.6 13.0 1.0 OE2 E:GLU190 4.7 15.6 1.0 NH2 E:ARG191 4.7 13.0 1.0 CB E:ASN253 4.8 11.2 1.0 OD1 E:ASN253 4.8 11.2 1.0 O3B E:ATP500 4.9 12.6 1.0 CD E:GLU190 4.9 15.6 1.0

Magnesium binding site 6 out of 6 in the PS3 F1 Rotorless, High Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of PS3 F1 Rotorless, High Atp within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:20.8 occ:1.00 O3 F:PO4503 1.9 20.0 1.0 O2B F:ADP502 1.9 22.7 1.0 OG1 F:THR165 2.5 19.9 1.0 O4 F:PO4503 2.5 20.0 1.0 P F:PO4503 2.6 20.0 1.0 PB F:ADP502 3.0 22.7 1.0 O3A F:ADP502 3.2 22.7 1.0 O2 F:PO4503 3.3 20.0 1.0 OE1 F:GLU194 3.5 14.4 1.0 O1B F:ADP502 3.5 22.7 1.0 CB F:THR165 3.6 19.9 1.0 O1 F:PO4503 3.9 20.0 1.0 OE2 F:GLU194 4.1 14.4 1.0 CD F:GLU194 4.2 14.4 1.0 O3B F:ADP502 4.3 22.7 1.0 N F:THR165 4.4 19.9 1.0 CG2 F:THR165 4.6 19.9 1.0 CA F:THR165 4.6 19.9 1.0 PA F:ADP502 4.7 22.7 1.0 OD1 F:ASP252 4.9 14.0 1.0 O2A F:ADP502 5.0 22.7 1.0 CE F:LYS164 5.0 20.6 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