Fluorine in PDB 7krn: Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc

All present enzymatic activity of Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc:
2.7.7.48; 3.6.4.12; 3.6.4.13;

The structure of Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	5 atoms
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc (pdb code 7krn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc, PDB code: 7krn:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc within 5.0Å range: probe atom residue distance (Å) B Occ E:F706 b:62.4 occ:1.00 F1 E:AF3706 0.0 62.4 1.0 AL E:AF3706 1.8 62.4 1.0 NH1 E:ARG567 2.3 65.7 1.0 O3B E:ADP704 2.4 69.2 1.0 N E:GLY538 2.8 73.2 1.0 NH2 E:ARG567 3.0 65.7 1.0 CZ E:ARG567 3.1 65.7 1.0 F2 E:AF3706 3.1 62.4 1.0 F3 E:AF3706 3.1 62.4 1.0 MG E:MG705 3.1 66.3 1.0 CG E:GLN537 3.4 65.7 1.0 CA E:GLY538 3.4 73.2 1.0 PB E:ADP704 3.5 69.2 1.0 C E:GLN537 3.7 65.7 1.0 CA E:GLN537 3.8 65.7 1.0 O1B E:ADP704 3.9 69.2 1.0 CB E:GLN537 4.1 65.7 1.0 C E:GLY538 4.2 73.2 1.0 O2B E:ADP704 4.3 69.2 1.0 OE2 E:GLU375 4.3 45.2 1.0 NE E:ARG567 4.3 65.7 1.0 CD E:GLN537 4.5 65.7 1.0 OE1 E:GLN537 4.6 65.7 1.0 O E:GLY538 4.6 73.2 1.0 O E:GLN537 4.7 65.7 1.0 CD E:GLU375 4.8 45.2 1.0 O3A E:ADP704 4.8 69.2 1.0 N E:SER539 4.9 77.0 1.0 NZ E:LYS288 4.9 51.4 1.0

Fluorine binding site 2 out of 3 in the Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc within 5.0Å range: probe atom residue distance (Å) B Occ E:F706 b:62.4 occ:1.00 F2 E:AF3706 0.0 62.4 1.0 AL E:AF3706 1.8 62.4 1.0 O1B E:ADP704 2.2 69.2 1.0 NZ E:LYS288 2.3 51.4 1.0 N E:GLY285 2.9 61.0 1.0 F1 E:AF3706 3.1 62.4 1.0 O3B E:ADP704 3.1 69.2 1.0 F3 E:AF3706 3.1 62.4 1.0 CA E:PRO284 3.1 60.5 1.0 PB E:ADP704 3.1 69.2 1.0 NH2 E:ARG567 3.3 65.7 1.0 MG E:MG705 3.4 66.3 1.0 CE E:LYS288 3.4 51.4 1.0 C E:PRO284 3.5 60.5 1.0 CB E:PRO284 3.6 60.5 1.0 CA E:GLY285 4.0 61.0 1.0 O3A E:ADP704 4.1 69.2 1.0 CZ E:ARG567 4.3 65.7 1.0 O2B E:ADP704 4.3 69.2 1.0 NH1 E:ARG567 4.3 65.7 1.0 N E:PRO284 4.4 60.5 1.0 O E:PRO283 4.6 57.5 1.0 O1A E:ADP704 4.6 69.2 1.0 CD E:LYS288 4.7 51.4 1.0 O E:PRO284 4.7 60.5 1.0 NH1 E:ARG443 4.7 73.0 1.0 N E:THR286 4.8 55.6 1.0 C E:PRO283 4.9 57.5 1.0 C E:GLY285 4.9 61.0 1.0 NE2 E:GLN404 5.0 58.2 1.0

Fluorine binding site 3 out of 3 in the Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc within 5.0Å range: probe atom residue distance (Å) B Occ E:F706 b:62.4 occ:1.00 F3 E:AF3706 0.0 62.4 1.0 AL E:AF3706 1.8 62.4 1.0 MG E:MG705 1.9 66.3 1.0 OE2 E:GLU375 2.6 45.2 1.0 O1B E:ADP704 3.0 69.2 1.0 F2 E:AF3706 3.1 62.4 1.0 F1 E:AF3706 3.1 62.4 1.0 OG E:SER289 3.2 53.2 1.0 NZ E:LYS288 3.2 51.4 1.0 PB E:ADP704 3.3 69.2 1.0 CE E:LYS288 3.3 51.4 1.0 O2B E:ADP704 3.4 69.2 1.0 CD E:GLU375 3.5 45.2 1.0 O3B E:ADP704 3.5 69.2 1.0 OE1 E:GLU375 3.8 45.2 1.0 OD1 E:ASP374 4.1 39.9 1.0 CB E:SER289 4.6 53.2 1.0 OD2 E:ASP374 4.6 39.9 1.0 CB E:LYS288 4.7 51.4 1.0 CD E:LYS288 4.8 51.4 1.0 CG E:ASP374 4.8 39.9 1.0 N E:SER289 4.8 53.2 1.0 CG E:GLU375 4.8 45.2 1.0 CG E:GLN537 4.8 65.7 1.0 O3A E:ADP704 4.9 69.2 1.0

B.Malone, J.Chen, Q.Wang, E.C.Llewellyn, Y.J.Choi, P.D.B.Olinares, X.Cao, C.Hernandez, E.Eng, B.T.Chait, D.E.Shaw, R.Landick, S.A.Darst, E.A.Campbell. Structural Basis For Backtracking By the Sars-Cov-2 Replication-Transcription Complex Proc.Natl.Acad.Sci.Usa 2021.
ISSN: ESSN 1091-6490