Magnesium in PDB 6z2x: MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II)

All present enzymatic activity of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II):
2.7.11.1;

The structure of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) (pdb code 6z2x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II), PDB code: 6z2x:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg2403 b:0.4 occ:1.00 O1A E:ANP2401 2.1 0.9 1.0 O1G E:ANP2401 2.1 0.9 1.0 OD2 E:ASP2243 2.2 0.3 1.0 CG E:ASP2243 2.4 0.3 1.0 PG E:ANP2401 2.5 0.9 1.0 N3B E:ANP2401 2.6 0.9 1.0 O2G E:ANP2401 2.7 0.9 1.0 ND2 E:ASN2229 2.7 0.7 1.0 OD1 E:ASP2243 3.0 0.3 1.0 OD1 E:ASN2229 3.0 0.7 1.0 CB E:ASP2243 3.0 0.3 1.0 CG E:ASN2229 3.2 0.7 1.0 PA E:ANP2401 3.6 0.9 1.0 O1B E:ANP2401 3.6 0.9 1.0 PB E:ANP2401 3.6 0.9 1.0 NE2 E:HIS2226 3.9 0.2 1.0 MG E:MG2404 3.9 0.5 1.0 C5' E:ANP2401 4.0 0.9 1.0 CA E:ASP2243 4.0 0.3 1.0 O3G E:ANP2401 4.0 0.9 1.0 CE1 E:HIS2226 4.2 0.2 1.0 O3A E:ANP2401 4.2 0.9 1.0 O5' E:ANP2401 4.3 0.9 1.0 O2A E:ANP2401 4.6 0.9 1.0 CB E:ASN2229 4.6 0.7 1.0 N E:ASP2243 4.8 0.3 1.0 O2B E:ANP2401 5.0 0.9 1.0 CD2 E:HIS2226 5.0 0.2 1.0

Magnesium binding site 2 out of 4 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg2404 b:0.5 occ:1.00 O1B E:ANP2401 2.1 0.9 1.0 O2G E:ANP2401 2.1 0.9 1.0 OD1 E:ASP2243 2.2 0.3 1.0 OD2 E:ASP2245 2.8 0.0 1.0 CG E:ASP2243 3.0 0.3 1.0 OD2 E:ASP2243 3.0 0.3 1.0 CG E:ASP2245 3.3 0.0 1.0 PB E:ANP2401 3.5 0.9 1.0 PG E:ANP2401 3.6 0.9 1.0 OE2 E:GLU2082 3.6 0.6 1.0 CB E:ASP2245 3.9 0.0 1.0 MG E:MG2403 3.9 0.4 1.0 OD1 E:ASP2245 4.1 0.0 1.0 N3B E:ANP2401 4.1 0.9 1.0 O1A E:ANP2401 4.1 0.9 1.0 OE1 E:GLU2082 4.3 0.6 1.0 CD E:GLU2082 4.4 0.6 1.0 NZ E:LYS2080 4.4 0.5 1.0 O3A E:ANP2401 4.4 0.9 1.0 CB E:ASP2243 4.4 0.3 1.0 O3G E:ANP2401 4.4 0.9 1.0 O2B E:ANP2401 4.5 0.9 1.0 O1G E:ANP2401 4.5 0.9 1.0 OD2 E:ASP2224 4.5 1.0 1.0 PA E:ANP2401 4.7 0.9 1.0 CA E:ASP2243 5.0 0.3 1.0 O2A E:ANP2401 5.0 0.9 1.0

Magnesium binding site 3 out of 4 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg2403 b:0.7 occ:1.00 O1A F:ANP2401 2.1 0.9 1.0 O1G F:ANP2401 2.1 0.9 1.0 OD2 F:ASP2243 2.1 0.9 1.0 CG F:ASP2243 2.4 0.9 1.0 PG F:ANP2401 2.5 0.9 1.0 N3B F:ANP2401 2.6 0.9 1.0 O2G F:ANP2401 2.6 0.9 1.0 ND2 F:ASN2229 2.7 0.2 1.0 OD1 F:ASP2243 3.0 0.9 1.0 CB F:ASP2243 3.0 0.9 1.0 OD1 F:ASN2229 3.0 0.2 1.0 CG F:ASN2229 3.2 0.2 1.0 PA F:ANP2401 3.6 0.9 1.0 O1B F:ANP2401 3.6 0.9 1.0 PB F:ANP2401 3.6 0.9 1.0 NE2 F:HIS2226 3.9 0.1 1.0 C5' F:ANP2401 4.0 0.9 1.0 CA F:ASP2243 4.0 0.9 1.0 O3G F:ANP2401 4.0 0.9 1.0 O3A F:ANP2401 4.2 0.9 1.0 CE1 F:HIS2226 4.2 0.1 1.0 MG F:MG2404 4.3 0.5 1.0 O5' F:ANP2401 4.3 0.9 1.0 O2A F:ANP2401 4.5 0.9 1.0 CB F:ASN2229 4.6 0.2 1.0 N F:ASP2243 4.8 0.9 1.0 O2B F:ANP2401 4.9 0.9 1.0

Magnesium binding site 4 out of 4 in the MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of MEC1-DDC2 (F2244L Mutant) in Complex with Mg Amp-Pnp (State II) within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg2404 b:0.5 occ:1.00 O1B F:ANP2401 2.1 0.9 1.0 O2G F:ANP2401 2.1 0.9 1.0 OD2 F:ASP2245 2.9 0.6 1.0 OD1 F:ASP2243 3.0 0.9 1.0 OE2 F:GLU2082 3.4 0.9 1.0 PB F:ANP2401 3.5 0.9 1.0 OD2 F:ASP2243 3.5 0.9 1.0 PG F:ANP2401 3.5 0.9 1.0 CG F:ASP2243 3.7 0.9 1.0 CG F:ASP2245 3.7 0.6 1.0 O3G F:ANP2401 4.1 0.9 1.0 O2B F:ANP2401 4.1 0.9 1.0 N3B F:ANP2401 4.1 0.9 1.0 CB F:ASP2245 4.3 0.6 1.0 MG F:MG2403 4.3 0.7 1.0 CD F:GLU2082 4.3 0.9 1.0 OD1 F:ASP2245 4.5 0.6 1.0 OE1 F:GLU2082 4.5 0.9 1.0 O3A F:ANP2401 4.6 0.9 1.0 NZ F:LYS2080 4.6 0.5 1.0 O1A F:ANP2401 4.6 0.9 1.0 O1G F:ANP2401 4.6 0.9 1.0 OD2 F:ASP2224 4.8 0.7 1.0

E.A.Tannous, L.A.Yates, X.Zhang, P.M.Burgers. Mechanism of Auto-Inhibition and Activation of MEC1 Atr Checkpoint Kinase. Nat.Struct.Mol.Biol. 2020.
ISSN: ESSN 1545-9985
PubMed: 33169019
DOI: 10.1038/S41594-020-00522-0