Magnesium in PDB 6par: Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound

The structure of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound, PDB code: 6par was solved by C.Fan, J.T.Kaiser, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.62 / 3.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	169.648, 92.498, 237.691, 90.00, 110.34, 90.00
R / Rfree (%)	25.4 / 28.2

The binding sites of Magnesium atom in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound (pdb code 6par). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound, PDB code: 6par:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:36.1 occ:1.00 OG A:SER401 2.0 31.0 1.0 OE1 A:GLN442 2.1 60.1 1.0 N3B A:ANP701 2.2 79.5 1.0 CD A:GLN442 3.0 44.0 1.0 O2B A:ANP701 3.1 45.8 1.0 CB A:SER401 3.1 41.5 1.0 PB A:ANP701 3.2 77.7 1.0 PG A:ANP701 3.2 55.8 1.0 NE2 A:GLN442 3.4 53.9 1.0 O1A A:ANP701 3.5 68.2 1.0 O1G A:ANP701 3.5 38.5 1.0 O3G A:ANP701 3.6 70.3 1.0 N A:SER401 4.0 34.8 1.0 OD1 A:ASP522 4.1 55.3 1.0 CA A:SER401 4.1 34.7 1.0 OD2 A:ASP522 4.2 49.8 1.0 O3A A:ANP701 4.2 67.5 1.0 O1B A:ANP701 4.3 78.9 1.0 CG A:GLN442 4.3 30.7 1.0 PA A:ANP701 4.4 83.3 1.0 CG A:ASP522 4.6 54.2 1.0 CB A:GLN442 4.6 32.3 1.0 O2G A:ANP701 4.6 53.3 1.0 N B:GLY500 4.7 44.1 1.0 CB B:SER499 5.0 34.2 1.0 O2A A:ANP701 5.0 73.9 1.0

Magnesium binding site 2 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:49.8 occ:1.00 OE1 B:GLN442 2.0 61.1 1.0 OG B:SER401 2.0 43.8 1.0 O1G B:ANP701 2.1 71.7 1.0 O1B B:ANP701 2.1 78.2 1.0 CD B:GLN442 2.9 56.2 1.0 CB B:SER401 3.1 52.8 1.0 NE2 B:GLN442 3.3 48.1 1.0 PG B:ANP701 3.4 69.6 1.0 PB B:ANP701 3.4 77.4 1.0 O1A B:ANP701 3.6 83.0 1.0 N3B B:ANP701 3.8 78.2 1.0 OD2 B:ASP522 4.0 68.8 1.0 OD1 B:ASP522 4.0 52.5 1.0 N B:SER401 4.1 40.9 1.0 CA B:SER401 4.2 42.6 1.0 CG B:GLN442 4.2 55.2 1.0 O2G B:ANP701 4.3 40.9 1.0 O2B B:ANP701 4.4 49.7 1.0 O3G B:ANP701 4.4 52.4 1.0 CG B:ASP522 4.4 58.4 1.0 O3A B:ANP701 4.5 72.2 1.0 CB B:GLN442 4.5 44.4 1.0 PA B:ANP701 4.5 81.0 1.0 N A:GLY500 4.6 39.4 1.0 O2A B:ANP701 5.0 55.5 1.0

Magnesium binding site 3 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg702 b:0.8 occ:1.00 OG C:SER401 2.2 1.0 1.0 N3B C:ANP701 2.6 0.8 1.0 O1B C:ANP701 2.7 0.4 1.0 OE1 C:GLN442 3.1 84.8 1.0 N C:SER401 3.1 0.3 1.0 PB C:ANP701 3.2 0.4 1.0 CB C:SER401 3.3 0.0 1.0 O1G C:ANP701 3.3 0.9 1.0 PG C:ANP701 3.5 0.3 1.0 NE2 C:GLN442 3.5 88.2 1.0 CD C:GLN442 3.5 87.8 1.0 OD1 C:ASP522 3.5 98.0 1.0 CA C:SER401 3.7 0.7 1.0 O2A C:ANP701 3.8 0.0 1.0 CB C:LYS400 3.8 0.4 1.0 O3A C:ANP701 3.9 0.6 1.0 O1A C:ANP701 3.9 0.3 1.0 O3G C:ANP701 4.0 0.5 1.0 OD2 C:ASP522 4.0 0.8 1.0 PA C:ANP701 4.0 0.2 1.0 C C:LYS400 4.1 0.1 1.0 CG C:ASP522 4.2 97.6 1.0 CA C:LYS400 4.4 0.1 1.0 CG2 C:ILE552 4.5 83.1 1.0 O2B C:ANP701 4.6 0.1 1.0 N C:LYS400 4.6 0.4 1.0 CD C:LYS400 4.6 80.5 1.0 CG C:LYS400 4.7 0.1 1.0 CG C:GLN442 4.7 93.7 1.0 O2G C:ANP701 4.9 0.8 1.0

Magnesium binding site 4 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg702 b:87.2 occ:1.00 OG D:SER401 2.1 95.7 1.0 OE1 D:GLN442 2.2 86.1 1.0 O2G D:ANP701 2.2 0.1 1.0 O2B D:ANP701 2.3 0.3 1.0 CD D:GLN442 2.8 90.8 1.0 NE2 D:GLN442 2.8 86.5 1.0 PB D:ANP701 3.2 0.5 1.0 PG D:ANP701 3.2 0.1 1.0 CB D:SER401 3.2 0.1 1.0 N3B D:ANP701 3.4 0.3 1.0 O3A D:ANP701 3.5 0.6 1.0 O1G D:ANP701 3.7 0.2 1.0 O1A D:ANP701 3.7 0.1 1.0 N D:SER401 3.8 0.8 1.0 PA D:ANP701 3.9 0.4 1.0 OD1 D:ASP522 4.0 1.0 1.0 CA D:SER401 4.1 99.6 1.0 O2A D:ANP701 4.1 0.6 1.0 CG D:GLN442 4.1 0.4 1.0 OD2 D:ASP522 4.2 0.4 1.0 O1B D:ANP701 4.5 0.0 1.0 CG D:ASP522 4.5 0.7 1.0 O3G D:ANP701 4.6 0.3 1.0 CB D:GLN442 4.7 0.9 1.0 CB D:LYS400 4.7 95.2 1.0 C D:LYS400 4.8 0.8 1.0

Magnesium binding site 5 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg702 b:52.9 occ:1.00 OE1 E:GLN442 1.9 86.2 1.0 OG E:SER401 2.1 57.4 1.0 N3B E:ANP701 2.6 0.6 1.0 CD E:GLN442 2.9 82.9 1.0 O1G E:ANP701 3.1 86.4 1.0 O1A E:ANP701 3.2 0.6 1.0 PG E:ANP701 3.3 0.8 1.0 O2B E:ANP701 3.3 0.8 1.0 CB E:SER401 3.3 61.1 1.0 NE2 E:GLN442 3.3 94.6 1.0 PB E:ANP701 3.4 0.6 1.0 O3G E:ANP701 3.6 90.3 1.0 O3A E:ANP701 3.8 0.9 1.0 OD1 E:ASP522 4.0 89.3 1.0 N E:SER401 4.0 60.8 1.0 OD2 E:ASP522 4.0 99.0 1.0 PA E:ANP701 4.0 0.7 1.0 CG E:GLN442 4.2 83.1 1.0 CA E:SER401 4.2 57.3 1.0 CG E:ASP522 4.4 91.0 1.0 CB E:GLN442 4.5 79.2 1.0 O2A E:ANP701 4.7 0.6 1.0 N F:GLY500 4.7 60.3 1.0 O2G E:ANP701 4.8 0.1 1.0 O1B E:ANP701 4.8 0.9 1.0

Magnesium binding site 6 out of 6 in the Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of A Bacterial ATM1-Family Abc Exporter with Mgamppnp Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg702 b:64.8 occ:1.00 OE1 F:GLN442 2.0 94.9 1.0 OG F:SER401 2.0 55.6 1.0 O1B F:ANP701 2.3 0.5 1.0 O1G F:ANP701 2.6 77.4 1.0 CD F:GLN442 2.7 83.6 1.0 O2G F:ANP701 2.9 97.8 1.0 NE2 F:GLN442 3.0 94.3 1.0 CB F:SER401 3.1 48.7 1.0 PG F:ANP701 3.2 0.5 1.0 O1A F:ANP701 3.2 0.3 1.0 PB F:ANP701 3.4 98.6 1.0 N3B F:ANP701 3.8 99.0 1.0 N F:SER401 4.0 68.9 1.0 OD1 F:ASP522 4.0 83.0 1.0 PA F:ANP701 4.1 97.5 1.0 CA F:SER401 4.1 55.2 1.0 CG F:GLN442 4.1 70.0 1.0 O3A F:ANP701 4.2 0.2 1.0 OD2 F:ASP522 4.3 73.8 1.0 O2A F:ANP701 4.5 0.0 1.0 CB F:GLN442 4.6 70.9 1.0 O3G F:ANP701 4.6 85.4 1.0 CG F:ASP522 4.6 79.9 1.0 O2B F:ANP701 4.7 89.5 1.0 N E:GLY500 4.8 66.6 1.0 CB E:SER499 5.0 96.5 1.0

C.Fan, J.T.Kaiser, D.C.Rees. A Structural and Kinetic Framework For the Transport Cycle of A Bacterial Abc Exporter To Be Published.