Magnesium in PDB 8sa1: Cryoem Structure of P-Glycoprotein in Inward Facing 2 State Under Continuous Turnover Conditions with Verapamil

All present enzymatic activity of Cryoem Structure of P-Glycoprotein in Inward Facing 2 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 2 State Under Continuous Turnover Conditions with Verapamil (pdb code 8sa1). 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 2 State Under Continuous Turnover Conditions with Verapamil, PDB code: 8sa1:
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 2 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 2 State Under Continuous Turnover Conditions with Verapamil within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:63.4 occ:1.00 HE21 A:GLN1118 2.0 75.7 1.0 HE22 A:GLN1118 2.0 75.7 1.0 O2B A:ATP1301 2.2 128.5 1.0 NE2 A:GLN1118 2.3 75.7 1.0 O1G A:ATP1301 2.5 128.5 1.0 OG A:SER1077 2.9 99.7 1.0 PG A:ATP1301 3.2 128.5 1.0 PB A:ATP1301 3.2 128.5 1.0 O2G A:ATP1301 3.3 128.5 1.0 O3B A:ATP1301 3.4 128.5 1.0 CD A:GLN1118 3.5 75.7 1.0 O3A A:ATP1301 3.7 128.5 1.0 H A:SER1077 4.1 99.7 1.0 CB A:SER1077 4.2 99.7 1.0 O2A A:ATP1301 4.3 128.5 1.0 OE1 A:GLN1118 4.3 75.7 1.0 HG2 A:GLN1118 4.3 75.7 1.0 CG A:GLN1118 4.5 75.7 1.0 CB A:GLU1201 4.6 96.4 1.0 O1B A:ATP1301 4.6 128.5 1.0 HG3 A:GLN1118 4.6 75.7 1.0 O3G A:ATP1301 4.7 128.5 1.0 PA A:ATP1301 4.7 128.5 1.0 N A:SER1077 4.7 99.7 1.0

Magnesium binding site 2 out of 2 in the Cryoem Structure of P-Glycoprotein in Inward Facing 2 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 2 State Under Continuous Turnover Conditions with Verapamil within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1303 b:59.6 occ:1.00 O2B A:ATP1304 2.2 82.4 1.0 O2G A:ATP1304 2.2 82.4 1.0 OG A:SER434 2.3 59.1 1.0 O3B A:ATP1304 2.7 82.4 1.0 PG A:ATP1304 3.0 82.4 1.0 PB A:ATP1304 3.0 82.4 1.0 HB2 A:SER434 3.3 59.1 1.0 H A:SER434 3.3 59.1 1.0 CB A:SER434 3.4 59.1 1.0 O3G A:ATP1304 3.6 82.4 1.0 OE1 A:GLN475 3.7 38.2 1.0 O2A A:ATP1304 3.9 82.4 1.0 O3A A:ATP1304 4.0 82.4 1.0 N A:SER434 4.0 59.1 1.0 HB3 A:SER434 4.1 59.1 1.0 O1B A:ATP1304 4.2 82.4 1.0 CD A:GLN475 4.2 38.2 1.0 NE2 A:GLN475 4.2 38.2 1.0 CA A:SER434 4.3 59.1 1.0 O1G A:ATP1304 4.3 82.4 1.0 HA A:SER434 4.5 59.1 1.0 PA A:ATP1304 4.6 82.4 1.0 CB A:LYS433 4.8 65.6 1.0 H A:LYS433 5.0 65.6 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