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Atomistry » Fluorine » PDB 6zqz-7adu » 7abu | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 6zqz-7adu » 7abu » |
Fluorine in PDB 7abu: Structure of Sars-Cov-2 Main Protease Bound to RS102895Enzymatic activity of Structure of Sars-Cov-2 Main Protease Bound to RS102895
All present enzymatic activity of Structure of Sars-Cov-2 Main Protease Bound to RS102895:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13; Protein crystallography data
The structure of Structure of Sars-Cov-2 Main Protease Bound to RS102895, PDB code: 7abu
was solved by
S.Guenther,
P.Y.A.Reinke,
D.Oberthuer,
O.Yefanov,
L.Gelisio,
H.Ginn,
J.Lieske,
M.Domaracky,
W.Brehm,
A.Rahmani Mashour,
T.A.White,
J.Knoska,
G.Pena Esperanza,
F.Koua,
A.Tolstikova,
M.Groessler,
P.Fischer,
V.Hennicke,
H.Fleckenstein,
F.Trost,
M.Galchenkova,
Y.Gevorkov,
C.Li,
S.Awel,
L.X.Paulraj,
N.Ullah,
S.Falke,
B.Alves Franca,
M.Schwinzer,
H.Brognaro,
N.Werner,
M.Perbandt,
H.Tidow,
B.Seychell,
T.Beck,
S.Meier,
J.J.Doyle,
H.Giseler,
D.Melo,
T.J.Lane,
I.Dunkel,
A.Peck,
S.Saouane,
J.Hakanpaeae,
J.Meyer,
H.Noei,
P.Gribbon,
B.Ellinger,
M.Kuzikov,
M.Wolf,
L.Zhang,
C.Ehrt,
J.Pletzer-Zelgert,
J.Wollenhaupt,
C.Feiler,
M.Weiss,
E.C.Schulz,
P.Mehrabi,
B.Norton-Baker,
C.Schmidt,
K.Lorenzen,
R.Schubert,
H.Han,
A.Chari,
Y.Fernandez Garcia,
D.Turk,
R.Hilgenfeld,
M.Rarey,
A.Zaliani,
H.N.Chapman,
A.Pearson,
C.Betzel,
A.Meents,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Sars-Cov-2 Main Protease Bound to RS102895
(pdb code 7abu). 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 Main Protease Bound to RS102895, PDB code: 7abu: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 7abuGo back to![]() ![]()
Fluorine binding site 1 out
of 3 in the Structure of Sars-Cov-2 Main Protease Bound to RS102895
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 3 in 7abuGo back to![]() ![]()
Fluorine binding site 2 out
of 3 in the Structure of Sars-Cov-2 Main Protease Bound to RS102895
![]() Mono view ![]() Stereo pair view
Fluorine binding site 3 out of 3 in 7abuGo back to![]() ![]()
Fluorine binding site 3 out
of 3 in the Structure of Sars-Cov-2 Main Protease Bound to RS102895
![]() Mono view ![]() Stereo pair view
Reference:
S.Guenther,
P.Y.A.,
Reinke,
Y.,
Fernandez-Garcia,
J.,
Lieske,
T.J.,
Lane,
H.M.,
Ginn,
F.H.M.,
Koua,
C.,
Ehrt,
W.,
Ewert,
D.,
Oberthuer,
O.,
Yefanov,
S.,
Meier,
K.,
Lorenzen,
B.,
Krichel,
J.D.,
Kopicki,
L.,
Gelisio,
W.,
Brehm,
I.,
Dunkel,
B.,
Seychell,
H.,
Gieseler,
B.,
Norton-Baker,
B.,
Escudero-Perez,
M.,
Domaracky,
S.,
Saouane,
A.,
Tolstikova,
T.A.,
White,
A.,
Hanle,
M.,
Groessler,
H.,
Fleckenstein,
F.,
Trost,
M.,
Galchenkova,
Y.,
Gevorkov,
C.,
Li,
S.,
Awel,
A.Peck,
M.,
Barthelmess,
F.,
Schluenzen,
L.X.,
Paulraj,
N.,
Werner,
H.,
Andaleeb,
N.,
Ullah,
S.,
Falke,
V.,
Srinivasan,
B.,
Franca,
M.,
Schwinzer,
H.,
Brognaro,
C.,
Rogers,
D.,
Melo,
J.J.,
Doyle,
J.,
Knoska,
G.E.,
Pena Murillo,
A.,
Rahmani Mashhour,
F.,
Guicking,
V.,
Hennicke,
P.,
Fischer,
J.,
Hakanpaeae,
J.,
Meyer,
P.,
Gribbon,
B.,
Ellinger,
M.,
Kuzikov,
M.,
Wolf,
G.,
Burenkov,
D.,
Von Stetten,
G.,
Pompidor,
I.,
Bento,
S.,
Panneerselvam,
I.,
Karpics,
T.R.,
Schneider,
M.,
Garcia Alai,
S.,
Niebling,
C.,
Guenther,
C.,
Schmidt,
R.,
Schubert,
H.,
Han,
J.,
Boger,
D.,
Monteiro,
L.,
Zhang,
X.,
Sun,
J.,
Pletzer-Zelgert,
J.,
Wollenhaupt,
C.,
Feiler,
M.,
Weiss,
E.C.,
Schulz,
P.,
Mehrabi,
K.,
Karnicar,
A.,
Usenik,
J.,
Loboda,
H.,
Tidow,
A.,
Chari,
R.,
Hilgenfeld,
C.,
Uetrecht,
R.,
Cox,
A.,
Zaliani,
T.,
Beck,
M.,
Rarey,
S.,
Guenther,
D.,
Turk,
W.,
Hinrichs,
H.N.,
Chapman,
A.,
Pearson,
C.,
Betzel,
A.Meents.
Inhibition of Sars-Cov-2 Main Protease By Allosteric Drug-Binding Biorxiv 2020.
Page generated: Tue Jul 15 18:28:55 2025
DOI: 10.1101/2020.11.12.378422 |
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