Magnesium in PDB 6oqw: E. Coli Atp Synthase State 3A

All present enzymatic activity of E. Coli Atp Synthase State 3A:
7.1.2.2;

The binding sites of Magnesium atom in the E. Coli Atp Synthase State 3A (pdb code 6oqw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the E. Coli Atp Synthase State 3A, PDB code: 6oqw:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the E. Coli Atp Synthase State 3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E. Coli Atp Synthase State 3A within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:71.6 occ:1.00 O1G C:ATP600 1.9 83.4 1.0 O2B C:ATP600 1.9 83.4 1.0 OG1 C:THR176 2.2 75.6 1.0 CB C:THR176 3.0 75.6 1.0 PB C:ATP600 3.1 83.4 1.0 PG C:ATP600 3.3 83.4 1.0 O3B C:ATP600 3.7 83.4 1.0 O1B C:ATP600 3.7 83.4 1.0 N C:THR176 4.0 75.6 1.0 CG2 C:THR176 4.0 75.6 1.0 O3G C:ATP600 4.1 83.4 1.0 CA C:THR176 4.1 75.6 1.0 NE2 C:GLN200 4.2 74.4 1.0 OD1 C:ASP261 4.2 72.4 1.0 O2G C:ATP600 4.4 83.4 1.0 O3A C:ATP600 4.4 83.4 1.0 O1A C:ATP600 4.5 83.4 1.0 O2A C:ATP600 4.7 83.4 1.0 PA C:ATP600 4.7 83.4 1.0

Magnesium binding site 2 out of 5 in the E. Coli Atp Synthase State 3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E. Coli Atp Synthase State 3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:76.4 occ:1.00 O2B B:ATP600 2.0 83.6 1.0 OG1 B:THR176 2.4 75.9 1.0 O3G B:ATP600 2.4 83.6 1.0 O2G B:ATP600 2.6 83.6 1.0 PG B:ATP600 2.8 83.6 1.0 O3B B:ATP600 2.9 83.6 1.0 PB B:ATP600 2.9 83.6 1.0 CB B:THR176 3.6 75.9 1.0 O2A B:ATP600 3.8 83.6 1.0 O1B B:ATP600 3.9 83.6 1.0 O3A B:ATP600 4.2 83.6 1.0 O1G B:ATP600 4.3 83.6 1.0 N B:THR176 4.3 75.9 1.0 PA B:ATP600 4.5 83.6 1.0 CG2 B:THR176 4.5 75.9 1.0 OE1 B:GLN200 4.6 77.4 1.0 CA B:THR176 4.6 75.9 1.0 O1A B:ATP600 4.8 83.6 1.0 OD1 B:ASP261 4.9 73.2 1.0 NH2 D:ARG342 4.9 88.6 1.0 NZ B:LYS175 5.0 78.7 1.0

Magnesium binding site 3 out of 5 in the E. Coli Atp Synthase State 3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E. Coli Atp Synthase State 3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:71.2 occ:1.00 OG1 A:THR176 1.9 69.7 1.0 O2G A:ATP600 1.9 72.0 1.0 O2B A:ATP600 2.1 72.0 1.0 PB A:ATP600 3.3 72.0 1.0 CB A:THR176 3.3 69.7 1.0 PG A:ATP600 3.3 72.0 1.0 O3B A:ATP600 3.7 72.0 1.0 O1B A:ATP600 3.9 72.0 1.0 N A:THR176 4.1 69.7 1.0 O1G A:ATP600 4.1 72.0 1.0 CG2 A:THR176 4.1 69.7 1.0 OD1 A:ASP261 4.2 68.9 1.0 CA A:THR176 4.2 69.7 1.0 O2A A:ATP600 4.4 72.0 1.0 O3G A:ATP600 4.4 72.0 1.0 O3A A:ATP600 4.6 72.0 1.0 OD2 A:ASP261 4.7 68.9 1.0 PA A:ATP600 4.9 72.0 1.0 CG A:ASP261 4.9 68.9 1.0 O1A A:ATP600 5.0 72.0 1.0

Magnesium binding site 4 out of 5 in the E. Coli Atp Synthase State 3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E. Coli Atp Synthase State 3A within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:71.3 occ:1.00 OG1 F:THR156 2.1 72.7 1.0 O2B F:ADP500 2.4 20.0 1.0 CB F:THR156 3.1 72.7 1.0 OE1 F:GLU185 3.5 75.1 1.0 OE2 F:GLU185 3.7 75.1 1.0 O1A F:ADP500 3.8 20.0 1.0 PB F:ADP500 3.8 20.0 1.0 OE1 F:GLU181 3.9 73.0 1.0 CG2 F:THR156 3.9 72.7 1.0 CD F:GLU185 4.0 75.1 1.0 CA F:THR156 4.2 72.7 1.0 O1B F:ADP500 4.4 20.0 1.0 N F:THR156 4.4 72.7 1.0 CD F:GLU181 4.4 73.0 1.0 NH2 F:ARG182 4.4 71.2 1.0 OD2 F:ASP242 4.4 73.9 1.0 O3A F:ADP500 4.5 20.0 1.0 OD1 F:ASP242 4.6 73.9 1.0 PA F:ADP500 4.8 20.0 1.0 O3B F:ADP500 4.8 20.0 1.0 NE F:ARG182 4.9 71.2 1.0 NH2 C:ARG376 4.9 75.2 1.0 CG F:ASP242 4.9 73.9 1.0 OE2 F:GLU181 4.9 73.0 1.0 CG F:GLU181 5.0 73.0 1.0

Magnesium binding site 5 out of 5 in the E. Coli Atp Synthase State 3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of E. Coli Atp Synthase State 3A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:78.8 occ:1.00 O1 D:PO4501 1.9 81.0 1.0 O2B D:ADP500 2.3 78.6 1.0 O3 D:PO4501 2.4 81.0 1.0 P D:PO4501 2.5 81.0 1.0 OG1 D:THR156 2.9 79.5 1.0 O4 D:PO4501 3.2 81.0 1.0 PB D:ADP500 3.3 78.6 1.0 O3B D:ADP500 3.8 78.6 1.0 O1B D:ADP500 3.8 78.6 1.0 O2 D:PO4501 3.9 81.0 1.0 NH1 D:ARG182 4.0 75.1 1.0 CE D:LYS155 4.3 78.2 1.0 NZ D:LYS155 4.3 78.2 1.0 CB D:THR156 4.3 79.5 1.0 OE1 D:GLU185 4.5 76.3 1.0 O2A D:ADP500 4.6 78.6 1.0 ND2 D:ASN243 4.6 76.6 1.0 N D:THR156 4.7 79.5 1.0 O3A D:ADP500 4.7 78.6 1.0 NH2 D:ARG246 4.8 75.3 1.0 NH1 D:ARG246 4.8 75.3 1.0 OE2 D:GLU185 4.9 76.3 1.0 CB D:LYS155 4.9 78.2 1.0

M.Sobti, J.L.Walshe, D.Wu, R.Ishmukhametov, Y.C.Zeng, C.V.Robinson, R.M.Berry, A.G.Stewart. Cryo-Em Structures Provide Insight Into How E. Coli F1FOATP Synthase Accommodates Symmetry Mismatch. Nat Commun V. 11 2615 2020.
ISSN: ESSN 2041-1723
PubMed: 32457314
DOI: 10.1038/S41467-020-16387-2