Magnesium in PDB 8pmd: Nucleotide-Bound Bsep in Nanodiscs

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

Magnesium binding site 1 out of 2 in the Nucleotide-Bound 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 Nucleotide-Bound Bsep in Nanodiscs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:20.8 occ:1.00 O A:HOH1601 2.0 11.8 1.0 OE1 A:GLN1161 2.0 40.5 1.0 OG A:SER1120 2.0 25.9 1.0 O1B A:ATP1501 2.3 30.0 1.0 O2G A:ATP1501 2.4 21.4 1.0 CD A:GLN1161 3.1 36.2 1.0 CB A:SER1120 3.4 23.9 1.0 PB A:ATP1501 3.4 18.6 1.0 PG A:ATP1501 3.5 28.6 1.0 NE2 A:GLN1161 3.6 36.7 1.0 O3B A:ATP1501 3.6 28.7 1.0 OD1 A:ASP1243 3.9 35.5 0.3 N A:SER1120 4.0 16.1 1.0 OD2 A:ASP1243 4.0 33.3 0.6 O1G A:ATP1501 4.1 32.6 1.0 CA A:SER1120 4.2 16.8 1.0 O2A A:ATP1501 4.3 33.1 1.0 CG A:GLN1161 4.4 32.6 1.0 O3A A:ATP1501 4.4 20.3 1.0 CG A:ASP1243 4.4 35.0 0.4 CD1 A:ILE1273 4.5 31.8 1.0 CB A:GLN1161 4.6 29.9 1.0 O2B A:ATP1501 4.6 27.9 1.0 O3G A:ATP1501 4.8 31.2 1.0 PA A:ATP1501 4.9 19.5 1.0 CB A:LYS1119 4.9 23.9 1.0

Magnesium binding site 2 out of 2 in the Nucleotide-Bound 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 Nucleotide-Bound Bsep in Nanodiscs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1504 b:1.9 occ:1.00 O3G A:ATP1502 2.0 23.8 1.0 O A:HOH1602 2.1 18.9 1.0 OE1 A:GLN503 2.1 39.8 1.0 OG A:SER462 2.1 28.8 1.0 O2B A:ATP1502 2.6 29.8 1.0 CD A:GLN503 3.0 33.0 1.0 NE2 A:GLN503 3.4 33.3 1.0 PG A:ATP1502 3.4 31.8 1.0 CB A:SER462 3.5 21.9 1.0 OD1 A:ASP583 3.6 31.6 0.5 O3B A:ATP1502 3.7 30.4 1.0 OD2 A:ASP583 3.8 31.6 1.0 PB A:ATP1502 3.8 25.7 1.0 CG A:ASP583 4.1 31.6 0.0 O2A A:ATP1502 4.1 35.1 1.0 O2G A:ATP1502 4.1 24.6 1.0 N A:SER462 4.3 20.2 1.0 CA A:SER462 4.4 14.6 1.0 CG A:GLN503 4.4 31.9 1.0 O1G A:ATP1502 4.5 33.0 1.0 O3A A:ATP1502 4.6 27.4 1.0 CB A:GLN503 4.8 35.4 1.0 PA A:ATP1502 4.9 34.5 1.0 O1B A:ATP1502 4.9 32.2 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