Magnesium in PDB 9p01: Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs

All present enzymatic activity of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs:
3.6.4.6;

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs (pdb code 9p01). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs, PDB code: 9p01:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


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 S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:30.5 occ:1.00 OG1 A:THR249 1.8 34.3 1.0 O2G A:AGS901 1.9 31.9 1.0 O2B A:AGS901 2.0 37.5 1.0 HOG2 A:AGS901 2.2 31.9 1.0 HG1 A:THR249 2.3 33.6 1.0 CB A:THR249 3.0 30.0 1.0 HB A:THR249 3.1 31.2 1.0 O2A A:AGS901 3.2 32.4 1.0 PG A:AGS901 3.4 21.7 1.0 PB A:AGS901 3.5 14.9 1.0 OD1 A:ASP301 3.6 41.5 1.0 H A:THR249 3.6 31.5 1.0 HG21 A:THR249 3.7 33.2 1.0 H21 A:AGS901 3.7 41.3 1.0 OD2 A:ASP301 3.8 41.8 1.0 O3B A:AGS901 3.9 28.0 1.0 CG2 A:THR249 3.9 33.6 1.0 N A:THR249 4.1 31.6 1.0 CA A:THR249 4.1 29.8 1.0 O3G A:AGS901 4.1 41.3 1.0 CG A:ASP301 4.1 38.6 1.0 O3A A:AGS901 4.3 24.3 1.0 HG3 A:LYS248 4.3 31.6 1.0 PA A:AGS901 4.3 20.8 1.0 HA A:THR249 4.4 30.6 1.0 HG23 A:THR249 4.4 33.1 1.0 O1B A:AGS901 4.4 29.7 1.0 HG22 A:THR249 4.7 32.8 1.0 S1G A:AGS901 4.7 37.4 1.0 HE2 A:LYS248 4.9 34.5 1.0 HG3 A:GLU302 4.9 42.3 1.0 HG2 A:GLU302 5.0 41.7 1.0 HG2 A:LYS248 5.0 30.5 1.0

Magnesium binding site 2 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


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 S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg904 b:24.6 occ:1.00 O2B A:AGS903 1.9 35.8 1.0 OG1 A:THR522 2.1 35.7 1.0 O2G A:AGS903 2.1 34.6 1.0 O2A A:AGS903 2.2 28.7 1.0 HOG2 A:AGS903 2.5 34.6 1.0 HG1 A:THR522 2.6 35.7 1.0 HB A:THR522 3.1 30.9 1.0 CB A:THR522 3.1 30.2 1.0 PB A:AGS903 3.3 25.7 1.0 OD2 A:ASP574 3.5 39.9 1.0 PA A:AGS903 3.6 23.5 1.0 PG A:AGS903 3.6 25.8 1.0 HG21 A:THR522 3.6 29.5 1.0 H A:THR522 3.7 30.5 1.0 CG2 A:THR522 3.9 29.6 1.0 O3A A:AGS903 3.9 26.9 1.0 O3B A:AGS903 4.0 37.3 1.0 HD2 B:ARG632 4.0 35.1 1.0 OD1 A:ASP574 4.3 40.9 1.0 CG A:ASP574 4.3 37.0 1.0 O1A A:AGS903 4.3 34.0 1.0 H5'2 A:AGS903 4.3 32.2 1.0 CA A:THR522 4.3 27.1 1.0 N A:THR522 4.3 30.1 1.0 O1B A:AGS903 4.3 38.9 1.0 H21 A:AGS903 4.4 32.1 1.0 HG23 A:THR522 4.4 29.7 1.0 O3G A:AGS903 4.5 32.1 1.0 HA A:THR522 4.7 28.9 1.0 HG22 A:THR522 4.7 29.6 1.0 O5' A:AGS903 4.7 35.9 1.0 S1G A:AGS903 4.8 36.5 1.0 C5' A:AGS903 4.9 34.2 1.0 CD B:ARG632 4.9 34.5 1.0 HG3 A:GLU575 4.9 39.9 1.0

Magnesium binding site 3 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:33.9 occ:1.00 OG1 B:THR249 1.9 36.7 1.0 O2G B:AGS901 2.0 37.5 1.0 O2B B:AGS901 2.0 33.7 1.0 HOG2 B:AGS901 2.2 37.5 1.0 HG1 B:THR249 2.4 36.4 1.0 CB B:THR249 3.1 33.5 1.0 HB B:THR249 3.2 34.5 1.0 PB B:AGS901 3.4 21.6 1.0 PG B:AGS901 3.4 22.7 1.0 H B:THR249 3.6 33.9 1.0 OD1 B:ASP301 3.6 45.0 1.0 OE2 B:GLU302 3.6 49.2 1.0 HG21 B:THR249 3.7 36.0 1.0 OD2 B:ASP301 3.9 45.7 1.0 O3A B:AGS901 3.9 29.5 1.0 O3B B:AGS901 3.9 29.2 1.0 HG3 B:LYS248 4.0 36.0 1.0 CG2 B:THR249 4.0 37.1 1.0 CG B:ASP301 4.1 41.2 1.0 N B:THR249 4.2 32.7 1.0 CA B:THR249 4.2 33.8 1.0 O3G B:AGS901 4.3 44.0 1.0 O2A B:AGS901 4.4 33.4 1.0 HA B:THR249 4.5 34.4 1.0 HG23 B:THR249 4.5 35.9 1.0 HG2 B:LYS248 4.5 34.7 1.0 O1B B:AGS901 4.5 32.3 1.0 PA B:AGS901 4.6 25.1 1.0 CD B:GLU302 4.6 50.4 1.0 O1A B:AGS901 4.7 31.7 1.0 H21 B:AGS901 4.7 44.0 1.0 S1G B:AGS901 4.7 37.8 1.0 CG B:LYS248 4.7 36.2 1.0 HG2 B:GLU302 4.8 41.5 1.0 HG22 B:THR249 4.8 36.0 1.0 HD2 B:LYS248 4.9 35.0 1.0

Magnesium binding site 4 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg904 b:25.2 occ:1.00 O2B B:AGS903 1.9 30.1 1.0 OG1 B:THR522 2.1 35.2 1.0 O2A B:AGS903 2.2 40.2 1.0 O2G B:AGS903 2.3 43.5 1.0 HOG2 B:AGS903 2.7 43.5 1.0 HG1 B:THR522 2.7 35.2 1.0 HB B:THR522 3.1 31.1 1.0 CB B:THR522 3.2 30.2 1.0 PB B:AGS903 3.3 26.1 1.0 OD2 B:ASP574 3.4 39.1 1.0 PA B:AGS903 3.4 26.7 1.0 H B:THR522 3.5 30.5 1.0 PG B:AGS903 3.7 24.5 1.0 HG21 B:THR522 3.8 30.0 1.0 O3A B:AGS903 3.8 28.9 1.0 O1A B:AGS903 3.9 29.3 1.0 O3B B:AGS903 4.0 39.3 1.0 CG2 B:THR522 4.1 29.9 1.0 N B:THR522 4.2 29.6 1.0 CG B:ASP574 4.2 36.0 1.0 OD1 B:ASP574 4.3 38.3 1.0 HD2 C:ARG632 4.3 34.2 1.0 CA B:THR522 4.3 27.4 1.0 O1B B:AGS903 4.3 34.2 1.0 H5'2 B:AGS903 4.5 34.3 1.0 HG23 B:THR522 4.6 29.9 1.0 H21 B:AGS903 4.6 33.0 1.0 HA B:THR522 4.7 30.0 1.0 O3G B:AGS903 4.7 33.0 1.0 O5' B:AGS903 4.7 38.6 1.0 HG22 B:THR522 4.8 30.2 1.0 HB2 B:LYS521 4.8 31.5 1.0 S1G B:AGS903 4.9 31.2 1.0

Magnesium binding site 5 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg902 b:32.3 occ:1.00 OG1 F:THR249 1.8 38.5 1.0 O2B F:AGS901 1.9 28.6 1.0 O2G F:AGS901 2.1 32.3 1.0 HG1 F:THR249 2.3 37.0 1.0 HOG2 F:AGS901 2.4 32.3 1.0 CB F:THR249 3.0 32.8 1.0 HB F:THR249 3.1 34.2 1.0 PB F:AGS901 3.3 21.9 1.0 PG F:AGS901 3.5 24.3 1.0 OD1 F:ASP301 3.6 46.1 1.0 OD2 F:ASP301 3.6 45.3 1.0 HG21 F:THR249 3.7 35.9 1.0 H F:THR249 3.7 33.5 1.0 O3A F:AGS901 3.9 25.5 1.0 O3B F:AGS901 3.9 27.7 1.0 CG2 F:THR249 4.0 36.3 1.0 CG F:ASP301 4.0 40.7 1.0 CA F:THR249 4.1 32.3 1.0 N F:THR249 4.1 33.6 1.0 HG3 F:LYS248 4.3 34.1 1.0 HA F:THR249 4.3 33.5 1.0 O3G F:AGS901 4.3 38.9 1.0 O1B F:AGS901 4.4 39.2 1.0 HG23 F:THR249 4.4 35.1 1.0 O2A F:AGS901 4.6 37.5 1.0 HG3 F:GLU302 4.7 39.9 1.0 PA F:AGS901 4.7 22.6 1.0 HG22 F:THR249 4.7 35.9 1.0 HG2 F:GLU302 4.7 40.7 1.0 O1A F:AGS901 4.8 31.3 1.0 HE2 F:LYS248 4.8 37.0 1.0 S1G F:AGS901 4.9 44.0 1.0 H21 F:AGS901 4.9 38.9 1.0

Magnesium binding site 6 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg904 b:31.6 occ:1.00 O2B F:AGS903 1.9 39.3 1.0 O2A F:AGS903 2.0 36.9 1.0 OG1 F:THR522 2.0 37.6 1.0 O3G F:AGS903 2.1 38.9 1.0 H21 F:AGS903 2.4 38.9 1.0 HG1 F:THR522 2.5 37.6 1.0 HB F:THR522 3.0 32.1 1.0 CB F:THR522 3.0 31.7 1.0 PB F:AGS903 3.4 28.3 1.0 PA F:AGS903 3.4 24.3 1.0 HG21 F:THR522 3.5 30.8 1.0 PG F:AGS903 3.6 28.8 1.0 OD2 F:ASP574 3.7 42.3 1.0 H F:THR522 3.7 31.7 1.0 CG2 F:THR522 3.8 30.8 1.0 O3A F:AGS903 3.9 35.1 1.0 O3B F:AGS903 4.0 39.9 1.0 HD2 A:ARG632 4.0 32.6 1.0 O1A F:AGS903 4.1 34.3 1.0 H5'2 F:AGS903 4.2 34.5 1.0 HOG2 F:AGS903 4.2 38.0 1.0 CA F:THR522 4.2 28.7 1.0 HG23 F:THR522 4.3 30.8 1.0 N F:THR522 4.3 31.3 1.0 O1B F:AGS903 4.4 32.3 1.0 CG F:ASP574 4.5 38.0 1.0 OD1 F:ASP574 4.5 41.1 1.0 O2G F:AGS903 4.5 38.0 1.0 O5' F:AGS903 4.6 35.4 1.0 HG22 F:THR522 4.6 31.2 1.0 HA F:THR522 4.6 30.5 1.0 C5' F:AGS903 4.7 36.1 1.0 S1G F:AGS903 4.8 30.9 1.0 H5'1 F:AGS903 4.8 34.5 1.0 CD A:ARG632 4.9 33.1 1.0

Magnesium binding site 7 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg902 b:31.0 occ:1.00 OG1 E:THR249 1.9 32.1 1.0 O2B E:AGS901 1.9 32.2 1.0 O2G E:AGS901 2.1 37.6 1.0 HOG2 E:AGS901 2.2 37.6 1.0 HG1 E:THR249 2.3 32.0 1.0 CB E:THR249 3.2 30.9 1.0 HB E:THR249 3.3 31.6 1.0 PB E:AGS901 3.3 24.3 1.0 PG E:AGS901 3.3 18.6 1.0 H E:THR249 3.5 30.5 1.0 O3B E:AGS901 3.5 24.6 1.0 OD1 E:ASP301 3.5 44.6 1.0 O2A E:AGS901 3.6 31.4 1.0 OD2 E:ASP301 3.8 44.9 1.0 HG21 E:THR249 3.9 33.2 1.0 N E:THR249 4.0 30.4 1.0 H21 E:AGS901 4.0 37.2 1.0 CG E:ASP301 4.0 41.2 1.0 CG2 E:THR249 4.1 34.6 1.0 O3A E:AGS901 4.1 24.4 1.0 O3G E:AGS901 4.1 37.2 1.0 CA E:THR249 4.1 31.0 1.0 O1B E:AGS901 4.3 26.3 1.0 HB2 E:LYS248 4.3 27.8 1.0 HA E:THR249 4.4 31.4 1.0 PA E:AGS901 4.4 21.5 1.0 HG23 E:THR249 4.5 33.0 1.0 HE2 E:LYS248 4.6 26.8 1.0 HG3 E:GLU302 4.8 42.4 1.0 S1G E:AGS901 4.8 38.8 1.0 HG2 E:GLU302 4.8 43.5 1.0 HG22 E:THR249 4.9 32.7 1.0

Magnesium binding site 8 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg904 b:26.6 occ:1.00 O2B E:AGS903 1.9 32.6 1.0 OG1 E:THR522 1.9 36.5 1.0 O2A E:AGS903 2.1 34.1 1.0 O2G E:AGS903 2.2 41.7 1.0 HG1 E:THR522 2.5 36.5 1.0 HOG2 E:AGS903 2.5 41.7 1.0 HB E:THR522 3.0 32.0 1.0 CB E:THR522 3.0 31.8 1.0 PB E:AGS903 3.3 26.4 1.0 PA E:AGS903 3.5 25.0 1.0 OD2 E:ASP574 3.5 42.1 1.0 HG21 E:THR522 3.6 30.6 1.0 H E:THR522 3.6 31.1 1.0 PG E:AGS903 3.6 25.7 1.0 CG2 E:THR522 3.9 30.8 1.0 O3A E:AGS903 3.9 26.6 1.0 O3B E:AGS903 4.0 38.2 1.0 O1A E:AGS903 4.1 33.3 1.0 HD2 F:ARG632 4.1 33.9 1.0 N E:THR522 4.2 30.5 1.0 CA E:THR522 4.2 27.7 1.0 OD1 E:ASP574 4.3 40.1 1.0 CG E:ASP574 4.3 38.6 1.0 HG23 E:THR522 4.4 30.5 1.0 O1B E:AGS903 4.4 32.3 1.0 H5'2 E:AGS903 4.4 33.3 1.0 HA E:THR522 4.5 29.4 1.0 H21 E:AGS903 4.5 29.9 1.0 O3G E:AGS903 4.6 29.9 1.0 HG22 E:THR522 4.6 30.7 1.0 O5' E:AGS903 4.7 37.7 1.0 S1G E:AGS903 4.8 32.8 1.0 HB2 E:LYS521 4.9 31.1 1.0 C5' E:AGS903 5.0 34.3 1.0

Magnesium binding site 9 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg902 b:32.3 occ:1.00 OG1 D:THR249 1.8 36.9 1.0 O3G D:AGS901 1.9 34.0 1.0 O2B D:AGS901 2.0 38.8 1.0 H21 D:AGS901 2.0 34.0 1.0 HG1 D:THR249 2.2 35.6 1.0 CB D:THR249 3.0 32.2 1.0 HB D:THR249 3.1 33.0 1.0 PG D:AGS901 3.3 23.9 1.0 OE2 D:GLU302 3.3 45.0 1.0 PB D:AGS901 3.3 21.5 1.0 H D:THR249 3.6 31.8 1.0 OD1 D:ASP301 3.7 42.0 1.0 HG21 D:THR249 3.7 35.1 1.0 OD2 D:ASP301 3.8 41.5 1.0 O3B D:AGS901 3.8 27.2 1.0 O3A D:AGS901 3.9 26.6 1.0 CG2 D:THR249 3.9 35.9 1.0 O2G D:AGS901 4.0 41.0 1.0 CA D:THR249 4.0 31.4 1.0 N D:THR249 4.1 31.8 1.0 CG D:ASP301 4.1 38.2 1.0 HG3 D:LYS248 4.2 28.9 1.0 CD D:GLU302 4.3 49.7 1.0 HA D:THR249 4.3 32.0 1.0 HG23 D:THR249 4.4 34.4 1.0 O2A D:AGS901 4.4 32.9 1.0 O1B D:AGS901 4.5 31.8 1.0 HOG2 D:AGS901 4.6 41.0 1.0 PA D:AGS901 4.6 19.5 1.0 OE1 D:GLU302 4.6 50.9 1.0 S1G D:AGS901 4.7 36.7 1.0 HG22 D:THR249 4.7 34.6 1.0 O1A D:AGS901 4.8 34.2 1.0 HE2 D:LYS248 4.8 29.6 1.0 HG2 D:LYS248 4.9 28.7 1.0

Magnesium binding site 10 out of 12 in the Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Cryo-Em Structure of S. Mansoni P97 Bound to Atpgs within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg904 b:27.2 occ:1.00 O2A D:AGS903 1.9 37.0 1.0 O2G D:AGS903 2.0 35.0 1.0 OG1 D:THR522 2.1 37.4 1.0 O2B D:AGS903 2.2 35.4 1.0 HOG2 D:AGS903 2.3 35.0 1.0 HG1 D:THR522 2.6 37.4 1.0 HB D:THR522 3.2 32.7 1.0 CB D:THR522 3.2 32.2 1.0 PA D:AGS903 3.4 24.2 1.0 PG D:AGS903 3.5 26.7 1.0 PB D:AGS903 3.5 27.6 1.0 OD2 D:ASP574 3.5 39.6 1.0 H D:THR522 3.7 31.3 1.0 HG21 D:THR522 3.7 31.0 1.0 O3A D:AGS903 3.9 30.5 1.0 HD2 E:ARG632 3.9 33.4 1.0 O3B D:AGS903 4.0 42.0 1.0 CG2 D:THR522 4.1 30.9 1.0 O5' D:AGS903 4.2 38.5 1.0 H21 D:AGS903 4.2 35.9 1.0 OD1 D:ASP574 4.3 42.0 1.0 O1A D:AGS903 4.3 32.4 1.0 CG D:ASP574 4.3 38.6 1.0 O3G D:AGS903 4.4 35.9 1.0 N D:THR522 4.4 31.4 1.0 CA D:THR522 4.4 29.5 1.0 HG23 D:THR522 4.5 31.1 1.0 O1B D:AGS903 4.6 37.3 1.0 S1G D:AGS903 4.7 41.3 1.0 HA D:THR522 4.8 31.1 1.0 HG22 D:THR522 4.8 31.1 1.0 CD E:ARG632 4.9 33.6 1.0 HG2 D:GLU575 4.9 44.5 1.0 H5'2 D:AGS903 4.9 37.0 1.0 HB2 D:LYS521 5.0 31.4 1.0

D.R.Stephens, H.Y.J.Fung, Y.Han, J.Liang, Z.Chen, J.Ready, J.J.Collins. Leveraging the Human Druggable Genome to Uncover Therapeutic Targets in the Human Parasite Schistosoma Mansoni Proc.Natl.Acad.Sci.Usa 2025.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2505710122