Chlorine 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:
| Fluorine | (F) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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 Chlorine 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:
Chlorine binding site 1 out of 1 in 6t9t
Go back to
Chlorine Binding Sites List in 6t9t
Chlorine 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 Chlorine with other atoms in the Cl 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: Sat Dec 12 13:43:33 2020
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