Magnesium in PDB 9emc: RUVBL1/2 in Complex with Atp

All present enzymatic activity of RUVBL1/2 in Complex with Atp:
3.6.4.12;

The binding sites of Magnesium atom in the RUVBL1/2 in Complex with Atp (pdb code 9emc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the RUVBL1/2 in Complex with Atp, PDB code: 9emc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:13.2 occ:1.00 O3G A:ATP501 2.1 28.3 1.0 CG2 A:THR77 2.1 19.2 1.0 O1B A:ATP501 3.3 28.2 1.0 PG A:ATP501 3.5 40.4 1.0 CB A:THR77 3.5 22.6 1.0 NH2 F:ARG353 3.5 21.7 1.0 OE2 F:GLU317 3.7 23.7 1.0 OG1 A:THR77 3.8 37.0 1.0 O3B A:ATP501 3.9 29.6 1.0 OD2 A:ASP302 3.9 34.2 1.0 O2G A:ATP501 4.0 35.2 1.0 OD1 A:ASP302 4.0 32.3 1.0 PB A:ATP501 4.1 26.1 1.0 OE2 A:GLU303 4.2 36.2 1.0 OE1 F:GLU317 4.3 35.5 1.0 CG A:ASP302 4.3 28.9 1.0 O1A A:ATP501 4.3 32.1 1.0 CD F:GLU317 4.4 33.7 1.0 O1G A:ATP501 4.6 27.7 1.0 N A:THR77 4.6 18.5 1.0 CA A:THR77 4.6 17.9 1.0 CZ F:ARG353 4.8 16.7 1.0 O3A A:ATP501 4.9 21.4 1.0 PA A:ATP501 5.0 22.4 1.0 CG F:ARG314 5.0 16.7 1.0

Magnesium binding site 2 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:8.9 occ:1.00 OG1 D:THR84 2.1 27.0 1.0 O3G D:ATP501 2.1 22.7 1.0 O1B D:ATP501 2.1 27.3 1.0 PG D:ATP501 3.2 23.7 1.0 PB D:ATP501 3.3 24.2 1.0 CB D:THR84 3.3 19.4 1.0 O3B D:ATP501 3.4 23.0 1.0 NH2 A:ARG357 3.7 31.2 1.0 OE2 A:GLU320 3.8 30.1 1.0 O1G D:ATP501 3.8 16.8 1.0 O2A D:ATP501 3.9 28.2 1.0 OD2 D:ASP299 4.0 26.8 1.0 O3A D:ATP501 4.0 12.8 1.0 CG2 D:THR84 4.1 17.1 1.0 N D:THR84 4.3 8.1 1.0 OD1 D:ASP299 4.3 23.3 1.0 PA D:ATP501 4.4 18.7 1.0 CA D:THR84 4.4 11.2 1.0 O2G D:ATP501 4.5 31.4 1.0 OE1 A:GLU320 4.5 31.9 1.0 O2B D:ATP501 4.5 27.6 1.0 CG D:ASP299 4.6 22.6 1.0 CD A:GLU320 4.6 32.5 1.0 O1A D:ATP501 4.6 24.7 1.0 NH1 D:ARG400 4.9 23.1 1.0 CZ A:ARG357 5.0 23.7 1.0

Magnesium binding site 3 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:13.2 occ:1.00 O3G B:ATP501 2.1 28.3 1.0 CG2 B:THR77 2.1 19.2 1.0 O1B B:ATP501 3.3 28.2 1.0 PG B:ATP501 3.5 40.4 1.0 CB B:THR77 3.5 22.6 1.0 NH2 D:ARG353 3.5 21.7 1.0 OE2 D:GLU317 3.6 23.7 1.0 OG1 B:THR77 3.8 37.0 1.0 O3B B:ATP501 3.9 29.6 1.0 OD2 B:ASP302 3.9 34.2 1.0 O2G B:ATP501 4.0 35.2 1.0 OD1 B:ASP302 4.0 32.3 1.0 PB B:ATP501 4.1 26.1 1.0 OE2 B:GLU303 4.2 36.2 1.0 OE1 D:GLU317 4.3 35.5 1.0 CG B:ASP302 4.3 28.9 1.0 O1A B:ATP501 4.3 32.1 1.0 CD D:GLU317 4.4 33.7 1.0 O1G B:ATP501 4.6 27.7 1.0 N B:THR77 4.6 18.5 1.0 CA B:THR77 4.6 17.9 1.0 CZ D:ARG353 4.8 16.7 1.0 O3A B:ATP501 4.9 21.4 1.0 PA B:ATP501 5.0 22.4 1.0

Magnesium binding site 4 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:13.2 occ:1.00 O3G C:ATP501 2.1 28.3 1.0 CG2 C:THR77 2.1 19.2 1.0 O1B C:ATP501 3.3 28.2 1.0 PG C:ATP501 3.5 40.4 1.0 CB C:THR77 3.5 22.6 1.0 NH2 E:ARG353 3.5 21.7 1.0 OE2 E:GLU317 3.7 23.7 1.0 OG1 C:THR77 3.8 37.0 1.0 O3B C:ATP501 3.9 29.6 1.0 OD2 C:ASP302 3.9 34.2 1.0 O2G C:ATP501 4.0 35.2 1.0 OD1 C:ASP302 4.0 32.3 1.0 PB C:ATP501 4.1 26.1 1.0 OE2 C:GLU303 4.2 36.2 1.0 OE1 E:GLU317 4.3 35.5 1.0 CG C:ASP302 4.3 28.9 1.0 O1A C:ATP501 4.3 32.1 1.0 CD E:GLU317 4.4 33.7 1.0 O1G C:ATP501 4.6 27.7 1.0 N C:THR77 4.6 18.5 1.0 CA C:THR77 4.6 17.9 1.0 CZ E:ARG353 4.8 16.7 1.0 O3A C:ATP501 4.9 21.4 1.0 PA C:ATP501 5.0 22.4 1.0 CG E:ARG314 5.0 16.7 1.0

Magnesium binding site 5 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg502 b:8.9 occ:1.00 OG1 F:THR84 2.1 27.0 1.0 O3G F:ATP501 2.1 22.7 1.0 O1B F:ATP501 2.1 27.3 1.0 PG F:ATP501 3.2 23.7 1.0 PB F:ATP501 3.3 24.2 1.0 CB F:THR84 3.3 19.4 1.0 O3B F:ATP501 3.4 23.0 1.0 NH2 C:ARG357 3.7 31.2 1.0 O1G F:ATP501 3.8 16.8 1.0 OE2 C:GLU320 3.8 30.1 1.0 O2A F:ATP501 3.9 28.2 1.0 OD2 F:ASP299 4.0 26.8 1.0 O3A F:ATP501 4.0 12.8 1.0 CG2 F:THR84 4.1 17.1 1.0 N F:THR84 4.3 8.1 1.0 OD1 F:ASP299 4.3 23.3 1.0 PA F:ATP501 4.4 18.7 1.0 CA F:THR84 4.4 11.2 1.0 O2G F:ATP501 4.5 31.4 1.0 OE1 C:GLU320 4.5 31.9 1.0 O2B F:ATP501 4.5 27.6 1.0 CG F:ASP299 4.6 22.6 1.0 O1A F:ATP501 4.6 24.7 1.0 CD C:GLU320 4.6 32.5 1.0 NH1 F:ARG400 4.9 23.1 1.0 CZ C:ARG357 5.0 23.7 1.0

Magnesium binding site 6 out of 6 in the RUVBL1/2 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of RUVBL1/2 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg502 b:8.9 occ:1.00 OG1 E:THR84 2.1 27.0 1.0 O3G E:ATP501 2.1 22.7 1.0 O1B E:ATP501 2.1 27.3 1.0 PG E:ATP501 3.2 23.7 1.0 PB E:ATP501 3.3 24.2 1.0 CB E:THR84 3.3 19.4 1.0 O3B E:ATP501 3.4 23.0 1.0 NH2 B:ARG357 3.7 31.2 1.0 O1G E:ATP501 3.8 16.8 1.0 OE2 B:GLU320 3.8 30.1 1.0 O2A E:ATP501 3.9 28.2 1.0 OD2 E:ASP299 4.0 26.8 1.0 O3A E:ATP501 4.0 12.8 1.0 CG2 E:THR84 4.1 17.1 1.0 N E:THR84 4.3 8.1 1.0 OD1 E:ASP299 4.3 23.3 1.0 PA E:ATP501 4.4 18.7 1.0 CA E:THR84 4.4 11.2 1.0 O2G E:ATP501 4.5 31.4 1.0 OE1 B:GLU320 4.5 31.9 1.0 O2B E:ATP501 4.5 27.6 1.0 CG E:ASP299 4.6 22.6 1.0 O1A E:ATP501 4.6 24.7 1.0 CD B:GLU320 4.6 32.5 1.0 NH1 E:ARG400 4.9 23.1 1.0 CZ B:ARG357 5.0 23.7 1.0

C.Garcia-Martin, A.Lopez-Perrote, J.Boskovic, O.Llorca. Mechanism of Allosteric Inhibition of RUVBL1-RUVBL2 By the Small-Molecule Cb-6644 Cell Rep Phys Sci 2024.
ISSN: ESSN 2666-3864
DOI: 10.1016/J.XCRP.2024.101982