Atomistry » Fluorine » PDB 8hf8-8hxf » 8hvl
Atomistry »
  Fluorine »
    PDB 8hf8-8hxf »
      8hvl »

Fluorine in PDB 8hvl: Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332

Enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332, PDB code: 8hvl was solved by X.F.Zou, J.Zhang, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.31 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.08, 98.65, 59.101, 90, 108.31, 90
R / Rfree (%) 20.4 / 23

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 (pdb code 8hvl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332, PDB code: 8hvl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 1 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:30.8
occ:1.00
 F1 A:4WI401 0.0 30.8 1.0
C22 A:4WI401 1.4 32.1 1.0
F3 A:4WI401 1.9 32.5 1.0
F2 A:4WI401 1.9 34.0 1.0
C21 A:4WI401 2.2 28.8 1.0
O4 A:4WI401 2.5 30.1 1.0
O A:THR190 3.0 26.9 1.0
N4 A:4WI401 3.4 23.9 1.0
NE2 A:GLN192 3.5 25.7 1.0
CE A:MET165 3.6 30.9 1.0
CB A:GLN192 3.7 24.7 1.0
CD A:GLN192 4.0 23.6 1.0
CG A:GLN192 4.1 27.4 1.0
N A:GLN192 4.1 26.6 1.0
C A:THR190 4.2 27.2 1.0
O A:ARG188 4.3 22.2 1.0
N A:THR190 4.4 25.1 1.0
CD2 A:LEU167 4.4 27.3 1.0
CA A:GLN192 4.5 24.3 1.0
C14 A:4WI401 4.6 22.5 1.0
O A:GLN192 4.7 25.8 1.0
O A:GLU166 4.7 22.8 1.0
C A:ALA191 4.9 27.7 1.0
C A:GLN192 4.9 24.2 1.0
OE1 A:GLN192 5.0 21.8 1.0
O3 A:4WI401 5.0 34.8 1.0

Fluorine binding site 2 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 2 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:34.0
occ:1.00
 F2 A:4WI401 0.0 34.0 1.0
C22 A:4WI401 1.0 32.1 1.0
F3 A:4WI401 1.8 32.5 1.0
F1 A:4WI401 1.9 30.8 1.0
C21 A:4WI401 2.2 28.8 1.0
N4 A:4WI401 2.9 23.9 1.0
O4 A:4WI401 3.0 30.1 1.0
O A:HOH575 3.2 25.7 1.0
O A:GLU166 3.4 22.8 1.0
CD A:PRO168 3.6 26.8 1.0
CA A:LEU167 3.9 24.2 1.0
CD2 A:LEU167 4.1 27.3 1.0
C14 A:4WI401 4.2 22.5 1.0
O A:GLN192 4.2 25.8 1.0
O A:THR190 4.3 26.9 1.0
C A:GLU166 4.3 20.5 1.0
N A:PRO168 4.3 27.2 1.0
C A:LEU167 4.5 23.7 1.0
N A:LEU167 4.5 20.4 1.0
CG A:PRO168 4.6 26.5 1.0
N A:GLN192 4.6 26.6 1.0
CB A:GLN192 4.7 24.7 1.0
CE A:MET165 4.7 30.9 1.0
C16 A:4WI401 4.8 25.1 1.0
CG A:LEU167 4.9 25.0 1.0
CB A:LEU167 4.9 23.5 1.0
C A:GLN192 4.9 24.2 1.0

Fluorine binding site 3 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 3 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:32.5
occ:1.00
 F3 A:4WI401 0.0 32.5 1.0
C22 A:4WI401 1.1 32.1 1.0
F2 A:4WI401 1.8 34.0 1.0
F1 A:4WI401 1.9 30.8 1.0
C21 A:4WI401 2.2 28.8 1.0
N4 A:4WI401 2.7 23.9 1.0
O A:GLU166 3.0 22.8 1.0
CE A:MET165 3.0 30.9 1.0
O4 A:4WI401 3.2 30.1 1.0
CD2 A:LEU167 3.6 27.3 1.0
C A:GLU166 3.7 20.5 1.0
CA A:LEU167 3.9 24.2 1.0
N A:LEU167 4.1 20.4 1.0
C14 A:4WI401 4.1 22.5 1.0
CG A:LEU167 4.2 25.0 1.0
O A:HOH575 4.3 25.7 1.0
CB A:MET165 4.4 20.0 1.0
C13 A:4WI401 4.5 26.9 1.0
SD A:MET165 4.5 29.9 1.0
CG A:MET165 4.5 22.2 1.0
N A:GLU166 4.5 20.1 1.0
NE2 A:GLN192 4.6 25.7 1.0
CB A:GLN192 4.6 24.7 1.0
CD A:PRO168 4.6 26.8 1.0
CB A:LEU167 4.7 23.5 1.0
CA A:GLU166 4.8 17.2 1.0
O3 A:4WI401 4.9 34.8 1.0
O A:THR190 4.9 26.9 1.0
C A:LEU167 4.9 23.7 1.0
CD A:GLN192 5.0 23.6 1.0

Fluorine binding site 4 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 4 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:29.5
occ:1.00
 F1 B:4WI401 0.0 29.5 1.0
C22 B:4WI401 1.3 27.1 1.0
F3 B:4WI401 2.1 29.4 1.0
F2 B:4WI401 2.1 31.7 1.0
C21 B:4WI401 2.3 22.7 1.0
N4 B:4WI401 2.6 20.1 1.0
O B:GLU166 2.8 18.5 1.0
CD2 B:LEU167 3.5 23.7 1.0
O4 B:4WI401 3.5 23.6 1.0
CA B:LEU167 3.5 20.4 1.0
C B:GLU166 3.5 17.7 1.0
O B:HOH547 3.6 26.0 1.0
CE B:MET165 3.6 23.3 1.0
N B:LEU167 3.8 18.3 1.0
CD B:PRO168 3.9 24.4 1.0
C14 B:4WI401 4.1 19.3 1.0
C B:LEU167 4.3 23.4 1.0
CB B:LEU167 4.4 21.0 1.0
N B:PRO168 4.5 24.3 1.0
CG B:LEU167 4.5 24.1 1.0
O B:THR190 4.5 25.3 1.0
CB B:GLN192 4.6 19.1 1.0
O B:GLN192 4.6 26.2 1.0
C15 B:4WI401 4.7 21.3 1.0
C13 B:4WI401 4.7 18.0 1.0
N B:GLU166 4.7 16.3 1.0
O3 B:4WI401 4.7 19.4 1.0
CA B:GLU166 4.8 17.5 1.0
N B:GLN192 4.8 21.9 1.0
CB B:MET165 4.9 17.7 1.0

Fluorine binding site 5 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 5 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:31.7
occ:1.00
 F2 B:4WI401 0.0 31.7 1.0
C22 B:4WI401 1.3 27.1 1.0
F1 B:4WI401 2.1 29.5 1.0
F3 B:4WI401 2.2 29.4 1.0
C21 B:4WI401 2.3 22.7 1.0
O4 B:4WI401 2.9 23.6 1.0
O B:THR190 3.0 25.3 1.0
N4 B:4WI401 3.3 20.1 1.0
N B:GLN192 3.6 21.9 1.0
O B:HOH547 3.7 26.0 1.0
CD B:PRO168 3.8 24.4 1.0
CA B:ALA191 3.8 25.9 1.0
C B:THR190 3.8 24.5 1.0
C B:ALA191 4.1 23.5 1.0
N B:ALA191 4.2 25.4 1.0
O B:GLU166 4.4 18.5 1.0
CB B:GLN192 4.4 19.1 1.0
O B:GLN192 4.5 26.2 1.0
CA B:GLN192 4.5 18.8 1.0
C14 B:4WI401 4.6 19.3 1.0
CG B:PRO168 4.6 27.3 1.0
N B:THR190 4.7 23.0 1.0
CG B:GLN192 4.8 19.2 1.0
N B:PRO168 4.8 24.3 1.0
CA B:LEU167 4.8 20.4 1.0
CA B:THR190 4.9 21.9 1.0

Fluorine binding site 6 out of 6 in 8hvl

Go back to Fluorine Binding Sites List in 8hvl
Fluorine binding site 6 out of 6 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:29.4
occ:1.00
 F3 B:4WI401 0.0 29.4 1.0
C22 B:4WI401 1.3 27.1 1.0
F1 B:4WI401 2.1 29.5 1.0
F2 B:4WI401 2.2 31.7 1.0
C21 B:4WI401 2.3 22.7 1.0
O4 B:4WI401 2.8 23.6 1.0
O B:THR190 2.8 25.3 1.0
CE B:MET165 3.1 23.3 1.0
NE2 B:GLN192 3.2 19.4 1.0
N4 B:4WI401 3.4 20.1 1.0
CD B:GLN192 3.6 20.7 1.0
CG B:GLN192 3.7 19.2 1.0
CB B:GLN192 3.7 19.1 1.0
O B:ARG188 4.0 20.1 1.0
C B:THR190 4.0 24.5 1.0
N B:GLN192 4.1 21.9 1.0
N B:THR190 4.3 23.0 1.0
CD2 B:LEU167 4.5 23.7 1.0
CA B:GLN192 4.5 18.8 1.0
OE1 B:GLN192 4.6 17.9 1.0
C B:ALA191 4.6 23.5 1.0
C14 B:4WI401 4.6 19.3 1.0
O B:GLU166 4.7 18.5 1.0
CA B:ALA191 4.8 25.9 1.0
SD B:MET165 4.8 23.9 1.0
CA B:THR190 4.9 21.9 1.0
N B:ALA191 4.9 25.4 1.0
C20 B:4WI401 5.0 18.9 1.0
O B:GLN192 5.0 26.2 1.0

Reference:

X.F.Zou, J.Zhang, J.Li. Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with PF07321332 To Be Published.
Page generated: Wed Jul 16 05:28:01 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy