Calcium in PDB 8j8f: Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Dctp

All present enzymatic activity of Monkeypox Virus Dna Replication Holoenzyme F8, A22 and E4 in Complex with A Dna Duplex and Dctp:
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 Dctp (pdb code 8j8f). 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 Dctp, PDB code: 8j8f:
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 Dctp


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 Dctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1102 b:24.3 occ:1.00 O A:TYR550 2.2 29.2 1.0 O2B A:DCP1101 2.3 15.5 1.0 OD2 A:ASP753 2.3 24.6 1.0 O3G A:DCP1101 2.4 16.4 1.0 O2A A:DCP1101 2.6 10.1 1.0 C A:TYR550 3.4 20.6 1.0 PB A:DCP1101 3.5 29.7 1.0 OD1 A:ASP549 3.5 25.9 1.0 PG A:DCP1101 3.6 29.0 1.0 CG A:ASP753 3.6 21.9 1.0 CG A:ASP549 3.6 23.9 1.0 OD2 A:ASP549 3.6 28.8 1.0 O3B A:DCP1101 3.7 10.0 1.0 PA A:DCP1101 3.9 8.5 1.0 O3A A:DCP1101 4.0 25.1 1.0 N A:TYR550 4.2 7.3 1.0 CA A:TYR550 4.3 6.2 1.0 C5' A:DCP1101 4.3 20.1 1.0 N A:SER552 4.4 10.6 1.0 N A:ASN551 4.4 18.1 1.0 OD1 A:ASP753 4.4 23.9 1.0 CB A:ASP549 4.4 18.9 1.0 O1G A:DCP1101 4.5 13.5 1.0 CB A:ASP753 4.5 6.6 1.0 CA A:ASN551 4.5 5.3 1.0 O5' A:DCP1101 4.6 21.8 1.0 C A:ASP549 4.6 14.1 1.0 CB A:TYR550 4.7 8.8 1.0 O2G A:DCP1101 4.7 14.5 1.0 O1B A:DCP1101 4.8 12.0 1.0 C A:ASN551 4.9 8.6 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 Dctp


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 Dctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1103 b:62.6 occ:1.00 CA A:CA1104 1.9 66.4 1.0 OD2 A:ASP166 2.4 42.0 1.0 CG A:GLU168 2.8 26.3 1.0 O A:ILE167 3.0 18.3 1.0 OE2 A:GLU168 3.4 42.5 1.0 CG A:ASP166 3.5 38.2 1.0 CD A:GLU168 3.6 38.0 1.0 OD2 A:ASP462 3.6 29.6 1.0 OD1 A:ASP166 3.9 45.5 1.0 C A:ILE167 4.0 19.1 1.0 CB A:GLU168 4.1 23.8 1.0 CA A:GLU168 4.3 16.4 1.0 CG A:ASP462 4.3 22.2 1.0 CB A:ASP462 4.4 15.2 1.0 N A:GLU168 4.5 16.2 1.0 SG A:CYS459 4.7 29.2 1.0 CB A:ASP166 4.8 18.9 1.0 OE1 A:GLU168 4.8 33.5 1.0 N A:ILE167 4.8 15.8 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 Dctp


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 Dctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1104 b:66.4 occ:1.00 CA A:CA1103 1.9 62.6 1.0 O A:ILE167 3.0 18.3 1.0 OD2 A:ASP166 3.0 42.0 1.0 OD1 A:ASP166 3.6 45.5 1.0 CG A:ASP166 3.7 38.2 1.0 C A:ILE167 4.2 19.1 1.0 CG A:GLU168 4.3 26.3 1.0 OD2 A:ASP462 4.7 29.6 1.0 N A:ILE167 4.8 15.8 1.0 OD1 A:ASP268 4.8 33.2 1.0 OD2 A:ASP268 4.8 32.0 1.0 CA A:GLU168 4.9 16.4 1.0 OE2 A:GLU168 5.0 42.5 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.