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Atomistry » Fluorine » PDB 4xyf-4ymo » 4yfn | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 4xyf-4ymo » 4yfn » |
Fluorine in PDB 4yfn: Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)Enzymatic activity of Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
All present enzymatic activity of Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide):
2.7.7.6; Protein crystallography data
The structure of Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide), PDB code: 4yfn
was solved by
V.Molodtsov,
P.R.Fleming,
C.J.Eyermann,
A.D.Ferguson,
M.A.Foulk,
D.C.Mckinney,
C.E.Masse,
E.T.Buurman,
K.S.Murakami,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4yfn:
The structure of Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide) also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
(pdb code 4yfn). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide), PDB code: 4yfn: Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; Fluorine binding site 1 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 1 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 2 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 3 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 3 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 4 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 4 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 5 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 5 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 6 out of 6 in 4yfnGo back to![]() ![]()
Fluorine binding site 6 out
of 6 in the Escherichia Coli Rna Polymerase in Complex with Squaramide Compound 14 (N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)Benzyl]Amino}Piperidin-1-Yl) Cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide)
![]() Mono view ![]() Stereo pair view
Reference:
V.Molodtsov,
P.R.Fleming,
C.J.Eyermann,
A.D.Ferguson,
M.A.Foulk,
D.C.Mckinney,
C.E.Masse,
E.T.Buurman,
K.S.Murakami.
X-Ray Crystal Structures of Escherichia Coli Rna Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with An Improved Fraction Unbound to Human Plasma Protein To Be Published.
Page generated: Thu Aug 1 06:58:55 2024
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