Calcium in PDB 8j8g: Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate

All present enzymatic activity of Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate:
3.2.2.27;

The binding sites of Calcium atom in the Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate (pdb code 8j8g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate, PDB code: 8j8g:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1102 b:61.9 occ:1.00 OD2 A:ASP166 2.3 41.4 1.0 OE2 A:GLU168 2.3 54.9 1.0 OD2 A:ASP462 2.4 50.8 1.0 CA A:CA1103 3.2 74.0 1.0 CG A:ASP462 3.3 48.6 1.0 CG A:ASP166 3.4 43.6 1.0 CD A:GLU168 3.5 50.2 1.0 CB A:ASP462 3.5 34.0 1.0 OD1 A:ASP166 3.8 44.8 1.0 CG A:GLU168 4.0 39.2 1.0 O A:ILE167 4.2 38.8 1.0 CA A:CYS459 4.3 37.7 1.0 OD1 A:ASP462 4.5 44.0 1.0 SG A:CYS459 4.5 44.5 1.0 OE1 A:GLU168 4.5 53.2 1.0 CB A:ASP166 4.6 36.0 1.0 O A:TYR458 4.7 46.1 1.0 CB A:CYS459 4.8 37.5 1.0 O A:CYS459 4.9 40.9 1.0 CA A:ASP462 5.0 34.4 1.0

Calcium binding site 2 out of 3 in the Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1103 b:74.0 occ:1.00 OD1 A:ASP166 2.7 44.8 1.0 CA A:CA1102 3.2 61.9 1.0 OD2 A:ASP166 3.3 41.4 1.0 CG A:ASP166 3.4 43.6 1.0 O A:ILE167 3.7 38.8 1.0 OE2 A:GLU168 4.0 54.9 1.0 OD1 A:ASP268 4.5 49.5 1.0 N A:ILE167 4.8 32.0 1.0 C A:ILE167 4.8 25.8 1.0 CB A:ASP166 4.9 36.0 1.0 OD2 A:ASP268 4.9 45.6 1.0 OD2 A:ASP462 4.9 50.8 1.0

Calcium binding site 3 out of 3 in the Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Cidofovir Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1104 b:30.0 occ:1.00 O A:TYR550 1.8 51.7 1.0 OD2 A:ASP549 2.2 63.4 1.0 O3A A:TXJ1101 2.4 59.9 1.0 OD2 A:ASP753 2.5 49.3 1.0 C A:TYR550 3.0 49.2 1.0 CG A:ASP549 3.2 62.9 1.0 O1G A:TXJ1101 3.3 44.6 1.0 O3B A:TXJ1101 3.3 49.0 1.0 OP1 A:TXJ1101 3.4 53.1 1.0 PB A:TXJ1101 3.4 58.9 1.0 P A:TXJ1101 3.5 62.0 1.0 CG A:ASP753 3.6 51.7 1.0 OD1 A:ASP549 3.7 66.4 1.0 O3G A:TXJ1101 3.8 59.6 1.0 N A:TYR550 3.9 46.4 1.0 PG A:TXJ1101 3.9 68.7 1.0 CA A:TYR550 3.9 43.8 1.0 O1B A:TXJ1101 3.9 49.3 1.0 N A:ASN551 3.9 43.6 1.0 CA A:ASN551 4.1 40.9 1.0 OD1 A:ASP753 4.2 50.4 1.0 N A:SER552 4.2 35.3 1.0 C4' A:TXJ1101 4.3 51.2 1.0 C A:ASP549 4.3 50.4 1.0 CB A:TYR550 4.4 39.9 1.0 CB A:ASP549 4.4 50.2 1.0 C A:ASN551 4.5 45.5 1.0 O6 A:TXJ1101 4.7 54.2 1.0 O2B A:TXJ1101 4.7 56.4 1.0 O A:ASP549 4.8 55.4 1.0 CA A:ASP549 4.8 48.4 1.0 CB A:ASP753 4.9 49.0 1.0 N A:LEU553 5.0 38.5 1.0 OD1 A:ASN551 5.0 50.0 1.0

Y.X.Xu, Y.Q.Wu, X.Y.Wu, Y.Y.Zhang, Y.X.Yang, D.Y.Li, B.Yang, K.Gao, Z.Y.Zhang, C.J.Dong. Structural Basis of Human Monkeypox Viral Dna Replication Inhibition By Brincidofovir and Cidofovir To Be Published.