Magnesium in PDB 8bi0: ABCG2 Turnover-2 State with Tariquidar Bound

All present enzymatic activity of ABCG2 Turnover-2 State with Tariquidar Bound:
7.6.2.2;

The binding sites of Magnesium atom in the ABCG2 Turnover-2 State with Tariquidar Bound (pdb code 8bi0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the ABCG2 Turnover-2 State with Tariquidar Bound, PDB code: 8bi0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the ABCG2 Turnover-2 State with Tariquidar Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of ABCG2 Turnover-2 State with Tariquidar Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1505 b:71.4 occ:1.00 O1G A:ATP1501 1.5 71.7 1.0 NE2 A:GLN126 1.9 66.5 1.0 OE1 A:GLN126 1.9 66.5 1.0 CD A:GLN126 2.1 66.5 1.0 O1B A:ATP1501 2.2 71.7 1.0 OG A:SER87 2.3 65.9 1.0 PG A:ATP1501 3.0 71.7 1.0 PB A:ATP1501 3.4 71.7 1.0 CB A:SER87 3.4 65.9 1.0 OE2 A:GLU211 3.5 66.1 1.0 CG A:GLN126 3.6 66.5 1.0 O3B A:ATP1501 3.6 71.7 1.0 O3G A:ATP1501 3.7 71.7 1.0 O2G A:ATP1501 4.0 71.7 1.0 OD2 A:ASP210 4.1 64.7 1.0 O3A A:ATP1501 4.2 71.7 1.0 CB A:GLN126 4.2 66.5 1.0 OD1 A:ASP210 4.4 64.7 1.0 CD A:GLU211 4.4 66.1 1.0 CG A:ASP210 4.6 64.7 1.0 CA A:SER87 4.6 65.9 1.0 O2B A:ATP1501 4.6 71.7 1.0 O1A A:ATP1501 4.7 71.7 1.0 N A:SER87 4.7 65.9 1.0

Magnesium binding site 2 out of 2 in the ABCG2 Turnover-2 State with Tariquidar Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of ABCG2 Turnover-2 State with Tariquidar Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1506 b:71.5 occ:1.00 O1G B:ATP1501 1.3 71.3 1.0 O1B B:ATP1501 2.0 71.3 1.0 OE1 B:GLN126 2.4 64.4 1.0 OG B:SER87 2.4 65.0 1.0 PG B:ATP1501 2.5 71.3 1.0 NE2 B:GLN126 2.8 64.4 1.0 CD B:GLN126 2.8 64.4 1.0 PB B:ATP1501 3.0 71.3 1.0 O3B B:ATP1501 3.1 71.3 1.0 O3G B:ATP1501 3.1 71.3 1.0 OE2 B:GLU211 3.2 64.5 1.0 CB B:SER87 3.5 65.0 1.0 O2G B:ATP1501 3.7 71.3 1.0 O3A B:ATP1501 4.1 71.3 1.0 O2B B:ATP1501 4.1 71.3 1.0 CG B:GLN126 4.2 64.4 1.0 CD B:GLU211 4.3 64.5 1.0 OD2 B:ASP210 4.3 62.1 1.0 OD1 B:ASP210 4.3 62.1 1.0 N B:SER87 4.4 65.0 1.0 CA B:SER87 4.5 65.0 1.0 NZ B:LYS86 4.7 65.6 1.0 CG B:ASP210 4.7 62.1 1.0 CB B:GLN126 4.9 64.4 1.0 O1A B:ATP1501 4.9 71.3 1.0

A.Rasouli, Q.Yu, S.Dehghani-Ghahnaviyeh, P.C.Wen, J.Kowal, K.P.Locher, E.Tajkhorshid. Differential Dynamics and Direct Interaction of Bound Ligands with Lipids in Multidrug Transporter ABCG2. Proc.Natl.Acad.Sci.Usa V. 120 37120 2023.
ISSN: ESSN 1091-6490
PubMed: 36580587
DOI: 10.1073/PNAS.2213437120