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Chlorine in PDB 7avd: Structure of Sars-Cov-2 Main Protease Bound to SEN1269 LigandEnzymatic activity of Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand
All present enzymatic activity of Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand:
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 SEN1269 Ligand, PDB code: 7avd
was solved by
F.Koua,
G.Sebastian,
P.Reinke,
D.Oberthuer,
O.Yefanov,
L.Gelisio,
H.Ginn,
J.Lieske,
W.Ewert,
M.Domaracky,
W.Brehm,
A.Rahmani Mashour,
T.A.White,
J.Knoska,
G.Pena Esperanza,
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,
I.Dunkel,
T.J.Lane,
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:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand
(pdb code 7avd). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand, PDB code: 7avd: Jump to Chlorine binding site number: 1; 2; Chlorine binding site 1 out of 2 in 7avdGo back to Chlorine Binding Sites List in 7avd
Chlorine binding site 1 out
of 2 in the Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand
Mono view Stereo pair view
Chlorine binding site 2 out of 2 in 7avdGo back to Chlorine Binding Sites List in 7avd
Chlorine binding site 2 out
of 2 in the Structure of Sars-Cov-2 Main Protease Bound to SEN1269 Ligand
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: Sun Dec 13 10:23:47 2020
DOI: 10.1101/2020.11.12.378422 |
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