Magnesium in PDB 6wnr: E. Coli Atp Synthase State 3B

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

The binding sites of Magnesium atom in the E. Coli Atp Synthase State 3B (pdb code 6wnr). 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 3B, PDB code: 6wnr:
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 3B


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 3B within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:60.4 occ:1.00 O1G C:ATP600 1.9 66.4 1.0 O2B C:ATP600 1.9 66.4 1.0 O3B C:ATP600 2.1 66.4 1.0 PB C:ATP600 2.4 66.4 1.0 PG C:ATP600 2.5 66.4 1.0 OG1 C:THR176 3.1 57.2 1.0 O3A C:ATP600 3.4 66.4 1.0 O1A C:ATP600 3.4 66.4 1.0 O3G C:ATP600 3.5 66.4 1.0 CB C:THR176 3.5 57.2 1.0 PA C:ATP600 3.6 66.4 1.0 O2G C:ATP600 3.6 66.4 1.0 O1B C:ATP600 3.7 66.4 1.0 O2A C:ATP600 3.7 66.4 1.0 NH2 E:ARG342 4.2 64.3 1.0 N C:THR176 4.3 57.2 1.0 CA C:THR176 4.6 57.2 1.0 CG2 C:THR176 4.6 57.2 1.0

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


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 3B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:62.8 occ:1.00 O3G B:ATP600 1.9 71.0 1.0 O2B B:ATP600 1.9 71.0 1.0 O3B B:ATP600 2.3 71.0 1.0 PB B:ATP600 2.6 71.0 1.0 PG B:ATP600 2.6 71.0 1.0 OG1 B:THR176 2.7 59.5 1.0 O2G B:ATP600 3.5 71.0 1.0 CB B:THR176 3.6 59.5 1.0 O1B B:ATP600 3.7 71.0 1.0 O2A B:ATP600 3.7 71.0 1.0 O3A B:ATP600 3.7 71.0 1.0 O1G B:ATP600 3.8 71.0 1.0 PA B:ATP600 4.1 71.0 1.0 N B:THR176 4.3 59.5 1.0 NH2 D:ARG342 4.4 80.7 1.0 O1A B:ATP600 4.4 71.0 1.0 CG2 B:THR176 4.6 59.5 1.0 CA B:THR176 4.6 59.5 1.0 NZ B:LYS175 4.8 61.6 1.0 OE1 B:GLN200 4.9 57.6 1.0

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


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 3B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:54.8 occ:1.00 O2G A:ATP600 1.9 54.3 1.0 OG1 A:THR176 2.3 50.4 1.0 O2B A:ATP600 2.9 54.3 1.0 PG A:ATP600 3.3 54.3 1.0 CB A:THR176 3.5 50.4 1.0 O3B A:ATP600 3.7 54.3 1.0 O3G A:ATP600 3.9 54.3 1.0 PB A:ATP600 3.9 54.3 1.0 CG2 A:THR176 4.1 50.4 1.0 OD1 A:ASP261 4.2 48.5 1.0 O1G A:ATP600 4.5 54.3 1.0 OD2 A:ASP261 4.7 48.5 1.0 CA A:THR176 4.7 50.4 1.0 N A:THR176 4.7 50.4 1.0 OE1 A:GLN200 4.8 50.2 1.0 CG A:ASP261 4.8 48.5 1.0 O2A A:ATP600 4.9 54.3 1.0 O1B A:ATP600 4.9 54.3 1.0 CD A:GLN200 5.0 50.2 1.0

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


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 3B within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:50.3 occ:1.00 O1B F:ADP500 2.0 55.1 1.0 O2B F:ADP500 2.1 55.1 1.0 PB F:ADP500 2.4 55.1 1.0 O3B F:ADP500 3.4 55.1 1.0 NZ F:LYS155 3.5 48.1 1.0 NH2 C:ARG376 3.6 54.2 1.0 O3A F:ADP500 3.7 55.1 1.0 NH2 F:ARG182 3.7 49.9 1.0 OG1 F:THR156 3.8 53.3 1.0 O1A F:ADP500 4.1 55.1 1.0 OE1 F:GLU181 4.1 52.6 1.0 PA F:ADP500 4.4 55.1 1.0 CZ C:ARG376 4.7 54.2 1.0 N F:GLY152 4.8 50.7 1.0 CZ F:ARG182 4.8 49.9 1.0 CD F:GLU181 4.9 52.6 1.0 CB F:THR156 4.9 53.3 1.0 OE2 F:GLU181 4.9 52.6 1.0 NH1 C:ARG376 4.9 54.2 1.0 O2A F:ADP500 4.9 55.1 1.0 CE F:LYS155 5.0 48.1 1.0

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


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 3B within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:70.5 occ:1.00 O1 D:PO4501 2.0 72.4 1.0 O3 D:PO4501 2.1 72.4 1.0 O2B D:ADP500 2.2 70.3 1.0 P D:PO4501 2.4 72.4 1.0 OG1 D:THR156 2.9 68.1 1.0 O4 D:PO4501 3.1 72.4 1.0 PB D:ADP500 3.3 70.3 1.0 O2 D:PO4501 3.8 72.4 1.0 O3B D:ADP500 3.8 70.3 1.0 O1B D:ADP500 3.9 70.3 1.0 NH1 D:ARG182 3.9 61.9 1.0 OE1 D:GLU185 4.3 61.4 1.0 CB D:THR156 4.3 68.1 1.0 NZ D:LYS155 4.3 67.2 1.0 CE D:LYS155 4.4 67.2 1.0 O2A D:ADP500 4.5 70.3 1.0 OE2 D:GLU185 4.6 61.4 1.0 O3A D:ADP500 4.6 70.3 1.0 N D:THR156 4.7 68.1 1.0 ND2 D:ASN243 4.8 64.0 1.0 NH2 D:ARG246 4.9 61.8 1.0 CD D:GLU185 4.9 61.4 1.0 CZ D:ARG182 4.9 61.9 1.0 NH1 D:ARG246 4.9 61.8 1.0 NH2 D:ARG182 4.9 61.9 1.0

C.Robinson, A.G.Stewart, R.Ishmukhametov, R.Berry, M.Sobti, D.Wu, J.Walshe, Y.Zeng. Cryo-Em Structures Provide Insight Into How E. Coli F1FO Atp Synthase Accommodates Symmetry Mismatch Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-020-16387-2