Magnesium in PDB 8sb8: Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate

All present enzymatic activity of Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate:
7.6.2.1; 7.6.2.2;

The structure of Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate also contains other interesting chemical elements:

Vanadium

(V)

2 atoms

The binding sites of Magnesium atom in the Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate (pdb code 8sb8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate, PDB code: 8sb8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1301 b:38.8 occ:1.00 O1B A:AOV1304 1.9 52.9 1.0 OG A:SER434 2.0 50.7 1.0 HG A:SER434 2.1 50.7 1.0 O1G A:AOV1304 2.3 52.9 1.0 OE1 A:GLN475 3.0 45.2 1.0 CB A:SER434 3.2 50.7 1.0 PB A:AOV1304 3.3 52.9 1.0 HB2 A:SER434 3.4 50.7 1.0 HG3 A:GLN475 3.5 45.2 1.0 H A:GLY1178 3.6 48.9 1.0 HB3 A:SER434 3.6 50.7 1.0 VG A:AOV1304 3.7 52.9 1.0 O3B A:AOV1304 3.7 52.9 1.0 CD A:GLN475 3.8 45.2 1.0 H A:SER434 4.0 50.7 1.0 HB2 A:SER1177 4.1 50.4 1.0 CG A:GLN475 4.1 45.2 1.0 O2B A:AOV1304 4.2 52.9 1.0 O3A A:AOV1304 4.3 52.9 1.0 CA A:SER434 4.4 50.7 1.0 N A:GLY1178 4.4 48.9 1.0 N A:SER434 4.5 50.7 1.0 HA A:SER434 4.6 50.7 1.0 HA3 A:GLY1178 4.6 48.9 1.0 HB3 A:GLN475 4.6 45.2 1.0 O4G A:AOV1304 4.7 52.9 1.0 O3G A:AOV1304 4.7 52.9 1.0 HE2 A:LYS433 4.8 54.5 1.0 HA A:SER1177 4.8 50.4 1.0 NE2 A:GLN475 4.9 45.2 1.0 CB A:GLN475 4.9 45.2 1.0 HG2 A:GLN475 4.9 45.2 1.0 CB A:SER1177 4.9 50.4 1.0 HB2 A:GLN475 5.0 45.2 1.0 O2G A:AOV1304 5.0 52.9 1.0 O1A A:AOV1304 5.0 52.9 1.0

Magnesium binding site 2 out of 2 in the Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryoem Structure of P-Glycoprotein in Collapsed Closed State with Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:45.2 occ:1.00 OG A:SER1077 1.8 50.0 1.0 OE1 A:GLN1118 1.8 45.0 1.0 HG A:SER1077 2.1 50.0 1.0 O1B A:AOV1303 2.3 53.0 1.0 O1G A:AOV1303 2.6 53.0 1.0 CD A:GLN1118 2.8 45.0 1.0 CB A:SER1077 3.0 50.0 1.0 HB2 A:SER1077 3.2 50.0 1.0 NE2 A:GLN1118 3.2 45.0 1.0 HB3 A:SER1077 3.4 50.0 1.0 H A:GLY533 3.4 47.9 1.0 PB A:AOV1303 3.5 53.0 1.0 O3A A:AOV1303 3.7 53.0 1.0 H A:SER1077 3.8 50.0 1.0 O3B A:AOV1303 4.0 53.0 1.0 HB2 A:SER532 4.0 49.6 1.0 CG A:GLN1118 4.1 45.0 1.0 CA A:SER1077 4.2 50.0 1.0 VG A:AOV1303 4.2 53.0 1.0 N A:GLY533 4.2 47.9 1.0 HA A:SER532 4.2 49.6 1.0 N A:SER1077 4.3 50.0 1.0 CB A:GLN1118 4.4 45.0 1.0 HA A:SER1077 4.4 50.0 1.0 HA3 A:GLY533 4.6 47.9 1.0 PA A:AOV1303 4.7 53.0 1.0 O2B A:AOV1303 4.7 53.0 1.0 O1A A:AOV1303 4.8 53.0 1.0 CB A:SER532 4.8 49.6 1.0 HB2 A:LYS1076 4.9 55.4 1.0 CA A:SER532 4.9 49.6 1.0 H2A A:AOV1303 4.9 53.0 1.0 O2A A:AOV1303 4.9 53.0 1.0 O2G A:AOV1303 4.9 53.0 1.0 HZ1 A:LYS1076 5.0 55.4 1.0

A.T.Culbertson, M.Liao. Cryo-Em of Human P-Glycoprotein Reveals An Intermediate Occluded Conformation During Active Drug Transport. Nat Commun V. 16 3619 2025.
ISSN: ESSN 2041-1723
PubMed: 40240353
DOI: 10.1038/S41467-025-58561-4