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Fluorine in PDB 6t9t: Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904)
Enzymatic activity of Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904)
All present enzymatic activity of Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904):
3.4.21.109;
3.4.21.109;
Protein crystallography data
The structure of Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904), PDB code: 6t9t
was solved by
J.M.Mueller,
S.Merkl,
A.Keils,
O.Pilgram,
T.Steinmetzer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.51 / 1.69 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 76.687, 80.408, 40.714, 90.00, 95.71, 90.00 |
| R / Rfree (%) | 18.8 / 20.8 |
Other elements in 6t9t:
The structure of Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904) also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904)
(pdb code 6t9t). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904), PDB code: 6t9t:
In total only one binding site of Fluorine was determined in the Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904), PDB code: 6t9t:
Fluorine binding site 1 out of 1 in 6t9t
Go back to
Fluorine Binding Sites List in 6t9t
Fluorine binding site 1 out
of 1 in the Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3- (Tert-Butyl)Ureido)Piperidin-1-Yl)-2-((3'-Fluoro-4'-(Hydroxymethyl)- [1,1'-Biphenyl])-3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904) within 5.0Å range:
|
Reference:
J.M.Mueller,
S.Merkl,
A.Keils,
O.Pilgram,
T.Steinmetzer.
Matriptase in Complex with the Synthetic Inhibitor (S)-3-(3-(4-(3-(Tert-Butyl)Ureido)Piperidin-1-Yl) -2-((3'-Fluoro-4'-(Hydroxymethyl)-[1,1'-Biphenyl]) -3-Sulfonamido)-3-Oxopropyl)Benzimidamide (Mi-1904) To Be Published.
Page generated: Fri Aug 2 01:56:45 2024
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