Magnesium in PDB 8sb7: Cryoem Structure of P-Glycoprotein in Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil

All present enzymatic activity of Cryoem Structure of P-Glycoprotein in Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil:
7.6.2.1; 7.6.2.2;

The binding sites of Magnesium atom in the Cryoem Structure of P-Glycoprotein in Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil (pdb code 8sb7). 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 Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil, PDB code: 8sb7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryoem Structure of P-Glycoprotein in Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil


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 Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:109.3 occ:1.00 O2B A:ATP1301 1.9 118.5 1.0 OG A:SER1077 2.5 110.6 1.0 O3B A:ATP1301 2.7 118.5 1.0 OE1 A:GLN1118 2.7 104.9 1.0 O2A A:ATP1301 2.7 118.5 1.0 PB A:ATP1301 2.8 118.5 1.0 O1G A:ATP1301 3.1 118.5 1.0 HB2 A:SER1077 3.2 110.6 1.0 O3A A:ATP1301 3.4 118.5 1.0 CD A:GLN1118 3.4 104.9 1.0 PG A:ATP1301 3.4 118.5 1.0 CB A:SER1077 3.4 110.6 1.0 NE2 A:GLN1118 3.5 104.9 1.0 PA A:ATP1301 3.6 118.5 1.0 H A:SER1077 3.7 110.6 1.0 HB3 A:SER1077 4.0 110.6 1.0 O1B A:ATP1301 4.1 118.5 1.0 O2G A:ATP1301 4.2 118.5 1.0 N A:SER1077 4.3 110.6 1.0 O1A A:ATP1301 4.4 118.5 1.0 CA A:SER1077 4.5 110.6 1.0 H5'2 A:ATP1301 4.6 118.5 1.0 O3G A:ATP1301 4.7 118.5 1.0 CG A:GLN1118 4.9 104.9 1.0 O5' A:ATP1301 4.9 118.5 1.0

Magnesium binding site 2 out of 2 in the Cryoem Structure of P-Glycoprotein in Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil


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 Inward Facing 1 State Under Continuous Turnover Conditions with Verapamil within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1303 b:100.2 occ:1.00 O3G A:ATP1304 1.7 106.5 1.0 O2B A:ATP1304 1.9 106.5 1.0 OG A:SER434 2.2 98.9 1.0 PG A:ATP1304 2.9 106.5 1.0 PB A:ATP1304 3.0 106.5 1.0 O3B A:ATP1304 3.1 106.5 1.0 O2A A:ATP1304 3.2 106.5 1.0 HB2 A:SER434 3.2 98.9 1.0 CB A:SER434 3.2 98.9 1.0 H A:SER434 3.5 98.9 1.0 O3A A:ATP1304 3.6 106.5 1.0 O1G A:ATP1304 3.8 106.5 1.0 HB3 A:SER434 3.8 98.9 1.0 NE2 A:GLN475 3.9 98.3 1.0 PA A:ATP1304 4.0 106.5 1.0 O2G A:ATP1304 4.1 106.5 1.0 N A:SER434 4.2 98.9 1.0 O1B A:ATP1304 4.2 106.5 1.0 CA A:SER434 4.3 98.9 1.0 CD A:GLN475 4.8 98.3 1.0 OE1 A:GLN475 4.8 98.3 1.0 HA A:SER434 4.8 98.9 1.0 O1A A:ATP1304 5.0 106.5 1.0 H A:GLY430 5.0 119.1 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