Magnesium in PDB 9g37: Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng

The binding sites of Magnesium atom in the Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng (pdb code 9g37). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng, PDB code: 9g37:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:40.9 occ:1.00 O2G A:ATP1001 2.1 64.0 1.0 OG A:SER694 2.1 51.6 1.0 O2B A:ATP1001 2.3 65.9 1.0 HB2 A:SER694 2.6 53.9 1.0 OE1 A:GLN735 2.8 71.7 1.0 HG A:SER694 2.9 53.4 1.0 CB A:SER694 2.9 48.9 1.0 O3B A:ATP1001 2.9 62.0 1.0 PG A:ATP1001 3.1 70.0 1.0 PB A:ATP1001 3.2 55.4 1.0 HB3 A:SER694 3.4 52.5 1.0 H B:GLY470 3.5 61.3 1.0 H A:SER694 3.5 54.9 1.0 O1A A:ATP1001 3.8 54.0 1.0 O3A A:ATP1001 3.8 53.2 1.0 HE22 A:GLN735 3.8 64.0 1.0 CD A:GLN735 3.9 67.5 1.0 O1G A:ATP1001 4.0 67.2 1.0 CA A:SER694 4.1 45.5 1.0 N A:SER694 4.1 49.9 1.0 O3G A:ATP1001 4.2 53.5 1.0 NE2 A:GLN735 4.2 58.0 1.0 HG3 A:LYS693 4.3 60.4 1.0 PA A:ATP1001 4.3 51.1 1.0 OG B:SER469 4.3 61.0 1.0 HG2 A:LYS693 4.3 60.3 1.0 N B:GLY470 4.4 54.4 1.0 HA B:SER469 4.5 60.6 1.0 O1B A:ATP1001 4.5 55.4 1.0 OD1 A:ASP814 4.5 63.5 1.0 HA A:SER694 4.6 53.1 1.0 HG B:SER469 4.6 61.1 1.0 OD2 A:ASP814 4.7 59.1 1.0 HB2 B:SER469 4.7 61.3 1.0 HA3 B:GLY470 4.7 61.1 1.0 CG A:LYS693 4.8 61.9 1.0 O2A A:ATP1001 4.8 61.8 1.0 CB B:SER469 4.9 54.8 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of Irtab 3XHTOA Mutant in Outward-Occluded State in Presence of Mycobactin Under Turnover Conditions in Lmng within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:58.9 occ:1.00 HE22 B:GLN412 1.6 77.7 1.0 HG1 B:THR371 1.7 78.4 1.0 O2B B:ATP602 2.0 65.9 1.0 NE2 B:GLN412 2.1 77.9 1.0 OG1 B:THR371 2.3 86.4 1.0 O2G B:ATP602 2.4 73.3 1.0 CD B:GLN412 2.6 75.6 1.0 HE21 B:GLN412 2.6 77.5 1.0 OE1 B:GLN412 2.8 78.1 1.0 HB B:THR371 3.1 78.1 1.0 CB B:THR371 3.3 75.5 1.0 PB B:ATP602 3.3 68.0 1.0 HB2 A:SER791 3.6 64.3 1.0 PG B:ATP602 3.7 85.7 1.0 H A:GLY792 3.7 59.7 1.0 O3B B:ATP602 3.7 75.1 1.0 HB2 B:GLN412 3.7 77.8 1.0 HG22 B:THR371 3.8 76.6 1.0 H B:THR371 3.8 79.1 1.0 O3A B:ATP602 3.9 66.9 1.0 CG B:GLN412 3.9 77.6 1.0 O1A B:ATP602 4.0 65.0 1.0 CG2 B:THR371 4.1 66.9 1.0 CB B:GLN412 4.1 77.7 1.0 HB3 B:GLN412 4.1 78.0 1.0 OD2 B:ASP492 4.2 88.4 1.0 OD1 B:ASP492 4.3 80.9 1.0 N B:THR371 4.4 70.8 1.0 CA B:THR371 4.4 66.6 1.0 HG3 B:GLN412 4.4 77.6 1.0 PA B:ATP602 4.5 63.6 1.0 O1B B:ATP602 4.5 75.9 1.0 HG2 B:GLN412 4.5 77.5 1.0 N A:GLY792 4.5 57.3 1.0 CB A:SER791 4.5 60.8 1.0 O1G B:ATP602 4.6 74.4 1.0 O3G B:ATP602 4.7 71.1 1.0 HG21 B:THR371 4.7 75.8 1.0 CG B:ASP492 4.7 85.6 1.0 HA3 A:GLY792 4.8 59.3 1.0 HG23 B:THR371 4.8 76.4 1.0 HA B:THR371 4.8 76.4 1.0 HB2 B:LYS370 4.8 88.5 1.0 HB3 A:SER791 4.9 64.7 1.0 HG A:SER791 5.0 63.8 1.0 HG3 B:GLU493 5.0 87.2 1.0

I.Gonda, S.Sorrentino, L.Galazzo, N.P.Lichti, F.M.Arnold, A.R.Mehdipour, E.Bordignon, M.A.Seeger. The Mycobacterial Abc Transporter Irtab Employs A Membrane-Facing Crevice For Siderophore-Mediated Iron Uptake Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41467-024-55136-7