Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T22977 | Target Info | |||
| Target Name | Superoxide dismutase Cu-Zn (SOD Cu-Zn) | ||||
| Synonyms | hSod1; Superoxide dismutase [Cu-Zn]; Superoxide dismutase 1; Superoxide dismutase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SOD1 | ||||
| Biochemical Class | Superoxide dismutase/reductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Tetrasulfane | Ligand Info | |||
| Canonical SMILES | SSSS | ||||
| InChI | 1S/H2S4/c1-3-4-2/h1-2H | ||||
| InChIKey | IKRMQEUTISXXQP-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 82836 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5YUL Native Structure of hSOD1 in P6322 space group | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MATKAVCVLK
9 GDGPVQGIIN19 FEQKESNGPV29 KVWGSIKGLT39 EGLHGFHVHE49 FGDNTAGCTS 59 AGPHFNPLSR69 KHGGPKDEER79 HVGDLGNVTA89 DKDGVADVSI99 EDSVISLSGD 109 HCIIGRTLVV119 HEKADDLGKG129 GNEESTKTGN139 AGSRLACGVI149 GIAQ |
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| PDB ID: 6A9O Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
MATKAVCVLK
9 GDGPVQGIIN19 FEQKESNGPV29 KVWGSIKGLT39 EGLHGFHVHE49 FGDNTAGCTS 59 AGPHFNPLSR69 KHGGPKDEER79 HVGDLGNVTA89 DKDGVADVSI99 EDSVISLSGD 109 HCIIGRTLVV119 HEKADDLGKG129 GNEESTKTGN139 AGSRLACGVI149 GIAQ |
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| PDB ID: 5YTU Structure of human SOD1 complexed with isoproteranol in C2221 space group | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MATKAVCVLK
9 GDGPVQGIIN19 FEQKESNGPV29 KVWGSIKGLT39 EGLHGFHVHE49 FGDNTAGCTS 59 AGPHFNPLSR69 KHGGPKDEER79 HVGDLGNVTA89 DKDGVADVSI99 EDSVISLSGD 109 HCIIGRTLVV119 HEKADDLGKG129 GNEESTKTGN139 AGSRLACGVI149 GIAQ |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation. FEBS Lett. 2018 May;592(10):1725-1737. | ||||
| REF 2 | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis. J Biomol Struct Dyn. 2019 Sep;37(15):3936-3946. | ||||
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