Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31543 | Target Info | |||
| Target Name | Suppressor of tumorigenicity 14 protein (ST14) | ||||
| Synonyms | Tumor-associated differentially-expressed gene 15 protein; Tumor associated differentially-expressed gene-15 protein; TADG15; Serine protease TADG-15; Serine protease 14; SNC19; Prostamin; PRSS14; Membrane-type serine protease 1; Membrane type serine protease 1; Matriptase; MT-SP1 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | ST14 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Glutathione | Ligand Info | |||
| Canonical SMILES | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N | ||||
| InChI | 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | ||||
| InChIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N | ||||
| PubChem Compound ID | 124886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3P8G Crystal Structure of MT-SP1 in complex with benzamidine | ||||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 SGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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| PDB ID: 4IS5 Crystal Structure of the ligand-free inactive Matriptase | ||||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | Yes | [2] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 AGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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| PDB ID: 6N4T Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVINQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 SGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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| PDB ID: 3P8F Crystal Structure of MT-SP1 in complex with SFTI-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 SGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:29 or .A:119 or .A:120 or .A:121 or .A:122 or .A:205 or .A:206 or .A:207; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ISO Crystal Structure of Matriptase in complex with its inhibitor HAI-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [2] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 SGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:29 or .A:114 or .A:119 or .A:120 or .A:121 or .A:122 or .A:205 or .A:206 or .A:207; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ISL Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | Yes | [2] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 AGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:29 or .A:114 or .A:119 or .A:120 or .A:121 or .A:122 or .A:205 or .A:206 or .A:207; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ISN Crystal Structure of Matriptase in complex with its inhibitor HAI-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [2] |
| PDB Sequence |
VVGGTDADEG
25 EWPWQVSLHA35 LGQGHICGAS45 LISPNWLVSA55 AHCYIDDRGF60E RYSDPTQWTA 66 FLGLHDQSQR76 SAPGVQERRL85 KRIISHPFFN95 DFTFDYDIAL105 LELEKPAEYS 115 SMVRPICLPD125 ASHVFPAGKA135 IWVTGWGHTQ145 YGGTGALILQ156 KGEIRVIQQT 166 TCENLLPQQI176 TPRMMCVGFL185 SGGVDSCQGD194 SGGPLSSVEA204 DGRIFQAGVV 213 SWGDGCAQRN223 KPGVYTRLPL233 FRDWIKENTG243 V
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:29 or .A:114 or .A:119 or .A:120 or .A:121 or .A:122 or .A:205 or .A:206 or .A:207; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1. BMC Struct Biol. 2011 Jun 22;11:30. | ||||
| REF 2 | Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1. J Biol Chem. 2013 Apr 19;288(16):11155-64. | ||||
| REF 3 | Discovery and Development of TMPRSS6 Inhibitors Modulating Hepcidin Levels in Human Hepatocytes. Cell Chem Biol. 2019 Nov 21;26(11):1559-1572.e9. | ||||
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