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Atomistry » Chlorine » PDB 6gxj-6h4f » 6h13 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 6gxj-6h4f » 6h13 » |
Chlorine in PDB 6h13: Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)UreaEnzymatic activity of Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
All present enzymatic activity of Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea:
3.1.1.7; Protein crystallography data
The structure of Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea, PDB code: 6h13
was solved by
N.Coquelle,
J.P.Colletier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:Pages:>>> Page 1 <<< Page 2, Binding sites: 11 - 13;Binding sites:The binding sites of Chlorine atom in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea (pdb code 6h13). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.In total 13 binding sites of Chlorine where determined in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea, PDB code: 6h13: Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; Chlorine binding site 1 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 1 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 2 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 2 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 3 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 3 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 4 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 4 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 5 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 5 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 6 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 6 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 7 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 7 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 8 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 8 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 9 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 9 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Chlorine binding site 10 out of 13 in 6h13Go back to![]() ![]()
Chlorine binding site 10 out
of 13 in the Crystal Structure of Tcache Complexed TO1-(4-((Methyl((1-(2-((1,2,3,4- Tetrahydroacridin-9-Yl)Amino)Ethyl)-1H-1,2,3-Triazol-4-Yl)Methyl) Amino)Methyl)Pyridin-2-Yl)-3-(6-Oxo-1,2,3,4,6,10B-Hexahydropyrido[2, 1-A]Isoindol-10-Yl)Urea
![]() Mono view ![]() Stereo pair view
Reference:
K.Oukoloff,
N.Coquelle,
M.Bartolini,
M.Naldi,
R.Le Guevel,
S.Bach,
B.Josselin,
S.Ruchaud,
M.Catto,
L.Pisani,
N.Denora,
R.M.Iacobazzi,
I.Silman,
J.L.Sussman,
F.Buron,
J.P.Colletier,
L.Jean,
S.Routier,
P.Y.Renard.
Design, Biological Evaluation and X-Ray Crystallography of Nanomolar Multifunctional Ligands Targeting Simultaneously Acetylcholinesterase and Glycogen Synthase Kinase-3. Eur.J.Med.Chem. V. 168 58 2019.
Page generated: Sun Jul 28 00:22:15 2024
ISSN: ISSN 0223-5234 PubMed: 30798053 DOI: 10.1016/J.EJMECH.2018.12.063 |
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