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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;

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:

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

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:
probe atom residue distance (Å) B Occ
A:Cl301

b:40.9
occ:1.00
NH2 A:ARG161 3.2 24.1 1.0
NE A:ARG161 3.3 19.6 1.0
CZ A:ARG161 3.7 22.9 1.0
CE1 A:PHE184A 4.2 16.8 1.0
CZ A:PHE184A 4.5 16.7 1.0
CD A:ARG161 4.5 19.3 1.0

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: Mon Jul 29 15:20:43 2024

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