Magnesium in PDB 8pmj: Vanadate-Trapped Bsep in Nanodiscs

The structure of Vanadate-Trapped Bsep in Nanodiscs also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the Vanadate-Trapped Bsep in Nanodiscs (pdb code 8pmj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Vanadate-Trapped Bsep in Nanodiscs, PDB code: 8pmj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Vanadate-Trapped Bsep in Nanodiscs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Vanadate-Trapped Bsep in Nanodiscs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1508 b:36.3 occ:1.00 O A:HOH1602 2.0 34.4 1.0 OE1 A:GLN1161 2.0 46.5 1.0 OG A:SER1120 2.0 29.5 1.0 O1 A:VO41507 2.2 20.0 1.0 O1B A:ADP1506 2.3 20.0 1.0 CB A:SER1120 3.1 26.4 1.0 CD A:GLN1161 3.1 38.1 1.0 PB A:ADP1506 3.6 20.0 1.0 NE2 A:GLN1161 3.6 39.1 0.1 V A:VO41507 3.8 20.0 1.0 O3B A:ADP1506 3.8 20.0 1.0 OD2 A:ASP1243 4.1 44.5 0.6 O3A A:ADP1506 4.2 20.0 1.0 CA A:SER1120 4.3 21.2 1.0 O2A A:ADP1506 4.3 20.0 1.0 N A:SER1120 4.3 24.0 1.0 CG A:GLN1161 4.4 30.9 1.0 OD1 A:ASP1243 4.4 41.8 0.0 N A:GLY561 4.5 25.8 1.0 CB A:GLN1161 4.6 27.1 1.0 O4 A:VO41507 4.6 20.0 1.0 PA A:ADP1506 4.6 20.0 1.0 CG A:ASP1243 4.7 36.6 0.9 O2 A:VO41507 4.7 20.0 1.0 O2B A:ADP1506 4.7 20.0 1.0 O1A A:ADP1506 4.7 20.0 1.0

Magnesium binding site 2 out of 2 in the Vanadate-Trapped Bsep in Nanodiscs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Vanadate-Trapped Bsep in Nanodiscs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1509 b:25.9 occ:1.00 O3G A:ATP1501 2.0 27.0 1.0 O A:HOH1601 2.0 26.8 1.0 OG A:SER462 2.0 24.2 1.0 OE1 A:GLN503 2.1 38.0 0.4 O A:HOH1603 2.2 28.9 1.0 CB A:SER462 3.2 28.1 1.0 CD A:GLN503 3.2 27.7 1.0 O1B A:ATP1501 3.4 26.6 1.0 PG A:ATP1501 3.4 23.9 1.0 OD1 A:ASP583 3.7 50.2 0.0 NE2 A:GLN503 3.8 33.4 1.0 O3A A:ATP1501 3.8 26.5 1.0 O3B A:ATP1501 3.9 26.1 1.0 PB A:ATP1501 3.9 24.1 1.0 O1G A:ATP1501 4.1 27.2 1.0 CA A:SER462 4.2 20.1 1.0 N A:SER462 4.4 30.2 1.0 O2G A:ATP1501 4.4 25.9 1.0 CG A:ARG1221 4.4 21.3 1.0 CG A:GLN503 4.4 26.4 1.0 CG A:ASP583 4.5 39.1 1.0 CB A:GLN503 4.6 24.4 1.0 O2A A:ATP1501 4.6 26.9 1.0 OD2 A:ASP583 4.6 39.1 1.0 N A:ARG1221 4.6 26.9 1.0 CB A:ARG1221 4.7 20.9 1.0 PA A:ATP1501 4.8 22.3 1.0

H.Liu, R.N.Irobalieva, J.Kowal, D.Ni, K.Nosol, R.Bang-Sorensen, L.Lancien, H.Stahlberg, B.Stieger, K.P.Locher. Structural Basis of Bile Salt Extrusion and Small-Molecule Inhibition in Human Bsep. Nat Commun V. 14 7296 2023.
ISSN: ESSN 2041-1723
PubMed: 37949847
DOI: 10.1038/S41467-023-43109-1