Magnesium in PDB 8aow: Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands

The structure of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands also contains other interesting chemical elements:

Zinc

(Zn)

12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Magnesium atom in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands (pdb code 8aow). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands, PDB code: 8aow:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:49.5 occ:1.00 ND1 A:HIS37 2.0 31.3 1.0 OD1 A:ASP36 2.4 37.4 1.0 CE1 A:HIS37 2.4 30.3 1.0 CG A:HIS37 3.4 24.0 1.0 CG A:ASP36 3.4 29.4 1.0 N A:SER245 3.7 11.4 1.0 NE2 A:HIS37 3.7 28.9 1.0 OD2 A:ASP36 3.7 34.1 1.0 O A:VAL243 3.7 24.7 1.0 OG A:SER245 3.8 22.1 1.0 CG2 A:THR246 3.8 14.1 1.0 N A:THR246 3.9 9.4 1.0 OD1 A:ASN35 4.0 44.5 1.0 O C:HOH705 4.0 30.6 1.0 CB A:HIS37 4.1 23.9 1.0 CD2 A:HIS37 4.2 25.5 1.0 CB A:THR246 4.2 17.4 1.0 N A:HIS37 4.2 17.8 1.0 C A:SER245 4.3 15.7 1.0 CA A:SER245 4.4 6.9 1.0 CA A:GLY244 4.5 12.8 1.0 C A:GLY244 4.6 13.8 1.0 O C:HOH716 4.6 47.0 1.0 CB A:SER245 4.6 10.6 1.0 CA A:THR246 4.7 11.2 1.0 MG C:MG601 4.7 46.0 1.0 CB A:ASP36 4.7 23.4 1.0 C A:ASP36 4.8 28.5 1.0 C A:VAL243 4.8 18.1 1.0 N A:ASP36 4.8 30.8 1.0 CA A:HIS37 4.8 21.6 1.0 OD1 C:ASP277 4.9 36.4 1.0 CA A:ASP36 5.0 27.7 1.0

Magnesium binding site 2 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1005 b:53.6 occ:1.00 O2B X:MGP604 2.5 149.2 1.0 O3C X:MGP604 2.6 147.3 1.0 O A:HOH1106 3.2 34.9 1.0 O1A X:MGP604 3.6 146.9 1.0 CE1 X:HIS37 3.8 30.6 1.0 PB X:MGP604 3.8 146.1 1.0 OD2 A:ASP277 3.9 36.6 1.0 PC X:MGP604 3.9 143.9 1.0 NE2 X:HIS37 4.1 26.9 1.0 O3B X:MGP604 4.2 146.4 1.0 CG A:ASP277 4.2 36.9 1.0 NH2 A:ARG275 4.3 37.5 1.0 O3A X:MGP604 4.3 147.5 1.0 OD1 A:ASP277 4.3 37.7 1.0 PA X:MGP604 4.6 145.4 1.0 MG X:MG605 4.7 50.5 1.0 O1C X:MGP604 4.7 144.2 1.0 CZ A:ARG275 4.9 39.6 1.0 O2C X:MGP604 4.9 148.4 1.0 NH1 A:ARG275 4.9 36.2 1.0 O1B X:MGP604 5.0 146.4 1.0 ND1 X:HIS37 5.0 32.2 1.0

Magnesium binding site 3 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:46.0 occ:1.00 O2B A:MGP1003 2.4 96.8 1.0 O3C A:MGP1003 2.6 96.6 1.0 O C:HOH705 3.2 30.6 1.0 O1A A:MGP1003 3.6 95.2 1.0 PB A:MGP1003 3.7 92.8 1.0 CE1 A:HIS37 3.8 30.3 1.0 OD2 C:ASP277 3.9 35.7 1.0 PC A:MGP1003 3.9 95.0 1.0 NE2 A:HIS37 4.1 28.9 1.0 O3B A:MGP1003 4.1 94.6 1.0 CG C:ASP277 4.2 37.0 1.0 OD1 C:ASP277 4.2 36.4 1.0 O3A A:MGP1003 4.3 96.6 1.0 NH2 C:ARG275 4.5 42.2 1.0 PA A:MGP1003 4.6 92.5 1.0 MG A:MG1004 4.7 49.5 1.0 O1C A:MGP1003 4.7 91.7 1.0 NH1 C:ARG275 4.8 36.7 1.0 CZ C:ARG275 4.9 44.0 1.0 O1B A:MGP1003 4.9 94.3 1.0 O2C A:MGP1003 4.9 96.6 1.0 ND1 A:HIS37 5.0 31.3 1.0

Magnesium binding site 4 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg605 b:54.3 occ:1.00 ND1 C:HIS37 2.0 29.7 1.0 OD1 C:ASP36 2.3 37.8 1.0 CE1 C:HIS37 2.4 26.0 1.0 CG C:ASP36 3.3 31.2 1.0 CG C:HIS37 3.4 21.4 1.0 N C:SER245 3.6 13.6 1.0 OD2 C:ASP36 3.6 32.9 1.0 OG C:SER245 3.7 25.8 1.0 O C:VAL243 3.7 26.7 1.0 NE2 C:HIS37 3.7 23.5 1.0 CG2 C:THR246 3.8 12.6 1.0 N C:THR246 3.9 13.4 1.0 OD1 C:ASN35 3.9 43.1 1.0 O E:HOH706 4.1 37.7 1.0 CD2 C:HIS37 4.2 17.9 1.0 CB C:HIS37 4.2 23.0 1.0 CB C:THR246 4.2 15.6 1.0 N C:HIS37 4.2 14.9 1.0 C C:SER245 4.3 17.4 1.0 CA C:SER245 4.3 13.1 1.0 CA C:GLY244 4.4 13.4 1.0 C C:GLY244 4.5 17.4 1.0 CB C:SER245 4.5 14.0 1.0 O E:HOH717 4.6 45.4 1.0 CB C:ASP36 4.6 25.2 1.0 CA C:THR246 4.6 11.0 1.0 N C:ASP36 4.7 26.1 1.0 C C:VAL243 4.7 21.5 1.0 C C:ASP36 4.7 29.4 1.0 MG E:MG601 4.8 43.3 1.0 CA C:HIS37 4.8 19.9 1.0 CA C:ASP36 4.9 25.2 1.0

Magnesium binding site 5 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg601 b:43.3 occ:1.00 O2B C:MGP604 2.6 49.4 1.0 O3C C:MGP604 2.6 46.4 1.0 O E:HOH706 3.2 37.7 1.0 O1A C:MGP604 3.7 46.7 1.0 PB C:MGP604 3.8 49.7 1.0 OD2 E:ASP277 3.8 41.9 1.0 CE1 C:HIS37 3.8 26.0 1.0 PC C:MGP604 4.0 55.1 1.0 NH2 E:ARG275 4.1 33.1 1.0 NE2 C:HIS37 4.2 23.5 1.0 CG E:ASP277 4.2 41.3 1.0 O3B C:MGP604 4.2 43.7 1.0 OD1 E:ASP277 4.3 42.7 1.0 O3A C:MGP604 4.3 46.0 1.0 PA C:MGP604 4.6 51.8 1.0 CZ E:ARG275 4.8 40.7 1.0 MG C:MG605 4.8 54.3 1.0 O1C C:MGP604 4.8 44.2 1.0 NH1 E:ARG275 4.9 34.1 1.0 O2C C:MGP604 5.0 47.1 1.0

Magnesium binding site 6 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg605 b:50.2 occ:1.00 ND1 E:HIS37 2.1 30.8 1.0 OD1 E:ASP36 2.3 37.8 1.0 CE1 E:HIS37 2.6 29.4 1.0 CG E:ASP36 3.3 30.6 1.0 CG E:HIS37 3.4 24.9 1.0 OD2 E:ASP36 3.6 36.3 1.0 N E:SER245 3.6 11.9 1.0 OG E:SER245 3.7 17.7 1.0 O E:VAL243 3.8 24.4 1.0 NE2 E:HIS37 3.8 27.4 1.0 CG2 E:THR246 3.9 14.4 1.0 N E:THR246 3.9 15.5 1.0 O G:HOH706 4.0 30.2 1.0 OD1 E:ASN35 4.0 41.7 1.0 CB E:HIS37 4.2 24.4 1.0 CB E:THR246 4.2 18.8 1.0 CD2 E:HIS37 4.3 22.6 1.0 C E:SER245 4.3 18.5 1.0 N E:HIS37 4.3 16.0 1.0 CA E:SER245 4.4 11.9 1.0 CA E:GLY244 4.5 14.9 1.0 O G:HOH716 4.6 37.8 1.0 C E:GLY244 4.6 11.7 1.0 CB E:SER245 4.6 13.2 1.0 CA E:THR246 4.7 15.5 1.0 CB E:ASP36 4.7 24.0 1.0 MG G:MG601 4.7 51.8 1.0 N E:ASP36 4.8 28.4 1.0 C E:VAL243 4.8 16.5 1.0 C E:ASP36 4.8 28.2 1.0 CA E:HIS37 4.9 22.9 1.0 OD1 G:ASP277 4.9 38.3 1.0

Magnesium binding site 7 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg601 b:51.8 occ:1.00 O2B E:MGP604 2.5 194.1 1.0 O3C E:MGP604 2.6 192.6 1.0 O G:HOH706 3.2 30.2 1.0 O1A E:MGP604 3.6 192.2 1.0 CE1 E:HIS37 3.8 29.4 1.0 PB E:MGP604 3.8 192.1 1.0 OD2 G:ASP277 3.9 38.9 1.0 PC E:MGP604 3.9 189.8 1.0 O3B E:MGP604 4.2 192.5 1.0 NE2 E:HIS37 4.2 27.4 1.0 CG G:ASP277 4.2 37.3 1.0 NH2 G:ARG275 4.2 39.6 1.0 O3A E:MGP604 4.3 192.8 1.0 OD1 G:ASP277 4.3 38.3 1.0 PA E:MGP604 4.6 191.7 1.0 MG E:MG605 4.7 50.2 1.0 O1C E:MGP604 4.7 189.9 1.0 CZ G:ARG275 4.8 40.6 1.0 O2C E:MGP604 4.9 193.7 1.0 NH1 G:ARG275 4.9 34.9 1.0 ND1 E:HIS37 4.9 30.8 1.0 O1B E:MGP604 5.0 192.0 1.0

Magnesium binding site 8 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg605 b:49.7 occ:1.00 ND1 G:HIS37 2.0 31.2 1.0 CE1 G:HIS37 2.3 31.4 1.0 OD1 G:ASP36 2.4 41.1 1.0 CG G:ASP36 3.3 31.1 1.0 CG G:HIS37 3.4 23.1 1.0 OD2 G:ASP36 3.5 33.7 1.0 N G:SER245 3.6 12.3 1.0 NE2 G:HIS37 3.6 29.7 1.0 OG G:SER245 3.6 22.7 1.0 O G:VAL243 3.8 24.8 1.0 CG2 G:THR246 3.9 14.7 1.0 O I:HOH705 3.9 33.3 1.0 N G:THR246 4.0 10.9 1.0 OD1 G:ASN35 4.0 47.2 1.0 N G:HIS37 4.1 20.4 1.0 CD2 G:HIS37 4.1 24.6 1.0 CB G:HIS37 4.2 23.6 1.0 CB G:THR246 4.2 18.5 1.0 C G:SER245 4.3 15.8 1.0 CA G:SER245 4.3 6.6 1.0 CA G:GLY244 4.5 13.5 1.0 CB G:SER245 4.5 8.7 1.0 C G:GLY244 4.6 13.7 1.0 O I:HOH716 4.6 49.0 1.0 CA G:THR246 4.7 13.1 1.0 CB G:ASP36 4.7 22.7 1.0 MG I:MG601 4.7 43.0 1.0 N G:ASP36 4.8 31.1 1.0 CA G:HIS37 4.8 22.2 1.0 C G:VAL243 4.8 19.7 1.0 OD1 I:ASP277 4.9 39.2 1.0 C G:ASP36 4.9 29.9 1.0

Magnesium binding site 9 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg601 b:43.0 occ:1.00 O2B G:MGP604 2.4 74.8 1.0 O3C G:MGP604 2.6 75.1 1.0 O I:HOH705 3.2 33.3 1.0 O1A G:MGP604 3.7 74.5 1.0 CE1 G:HIS37 3.7 31.4 1.0 PB G:MGP604 3.7 71.2 1.0 OD2 I:ASP277 3.9 38.7 1.0 PC G:MGP604 3.9 77.0 1.0 NE2 G:HIS37 4.0 29.7 1.0 O3B G:MGP604 4.1 72.7 1.0 CG I:ASP277 4.1 38.7 1.0 OD1 I:ASP277 4.2 39.2 1.0 O3A G:MGP604 4.3 74.0 1.0 NH2 I:ARG275 4.4 40.7 1.0 PA G:MGP604 4.6 71.7 1.0 NH1 I:ARG275 4.6 35.1 1.0 MG G:MG605 4.7 49.7 1.0 O1C G:MGP604 4.7 70.4 1.0 CZ I:ARG275 4.8 41.8 1.0 O1B G:MGP604 4.9 73.6 1.0 O2C G:MGP604 4.9 75.4 1.0 ND1 G:HIS37 4.9 31.2 1.0

Magnesium binding site 10 out of 24 in the Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Cryoem Structure of the Chikungunya Virus NSP1 Capping Pores in Complex with M7GTP and Sah Ligands within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg605 b:51.5 occ:1.00 ND1 I:HIS37 2.0 27.7 1.0 OD1 I:ASP36 2.3 34.0 1.0 CE1 I:HIS37 2.4 24.1 1.0 CG I:HIS37 3.4 20.3 1.0 CG I:ASP36 3.4 26.3 1.0 N I:SER245 3.6 11.0 1.0 O I:VAL243 3.7 25.1 1.0 NE2 I:HIS37 3.7 24.3 1.0 OD2 I:ASP36 3.7 28.8 1.0 OG I:SER245 3.8 24.0 1.0 CG2 I:THR246 3.8 11.1 1.0 N I:THR246 3.9 12.2 1.0 OD1 I:ASN35 3.9 40.4 1.0 O K:HOH706 4.0 39.6 1.0 CB I:HIS37 4.1 20.8 1.0 CD2 I:HIS37 4.2 19.0 1.0 CB I:THR246 4.2 15.6 1.0 N I:HIS37 4.3 15.3 1.0 C I:SER245 4.3 14.6 1.0 CA I:SER245 4.4 9.8 1.0 CA I:GLY244 4.5 13.2 1.0 C I:GLY244 4.6 15.9 1.0 O K:HOH719 4.6 44.1 1.0 CA I:THR246 4.6 10.4 1.0 CB I:SER245 4.6 11.6 1.0 CB I:ASP36 4.7 20.5 1.0 C I:VAL243 4.7 19.7 1.0 C I:ASP36 4.7 24.6 1.0 N I:ASP36 4.7 23.7 1.0 MG K:MG601 4.8 43.3 1.0 CA I:HIS37 4.8 18.7 1.0 CA I:ASP36 5.0 20.9 1.0

R.Jones, M.Hons, N.Rabah, N.Zamarreno, R.Arranz, J.Reguera. Structural Basis and Dynamics of Chikungunya Alphavirus Rna Capping By NSP1 Capping Pores. Proc.Natl.Acad.Sci.Usa V. 120 34120 2023.
ISSN: ESSN 1091-6490
PubMed: 36913573
DOI: 10.1073/PNAS.2213934120