Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T04507 | Target Info | |||
| Target Name | Presynaptic density protein 95 (DLG4) | ||||
| Synonyms | Synapse-associated protein 90; SAP90; SAP-90; Postsynaptic density-95; Postsynaptic density protein 95; PSD95; PSD-95; Disks large homolog 4; Discs, large homolog 4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | DLG4 | ||||
| Biochemical Class | Ezrin/radixin/moesin-binding phosphoprotein 50 | ||||
| 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: 6SPV Crystal structure of PDZ1-2 from PSD-95 | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [1] |
| PDB Sequence |
EGEMEYEEIT
67 LERGNSGLGF77 SIAGGTDNPH87 IGDDPSIFIT97 KIIPGGAAAQ107 DGRLRVNDSI 117 LFVNEVDVRE127 VTHSAAVEAL137 KEAGSIVRLY147 VMRRKPPAEK157 VMEIKLIKGP 167 KGLGFSIAGG177 VGNQHIPGDN187 SIYVTKIIEG197 GAAHKDGRLQ207 IGDKILAVNS 217 VGLEDVMHED227 AVAALKNTYD237 VVYLKVAKP
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| PDB ID: 6SPZ Crystal structure of PDZ1-2 from PSD-95 with peptide ligand sequence RRESEI bound to both domains | ||||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [1] |
| PDB Sequence |
EGEMEYEEIT
67 LERGNSGLGF77 SIAGGTDNPH87 IGDDPSIFIT97 KIIPGGAAAQ107 DGRLRVNDSI 117 LFVNEVDVRE127 VTHSAAVEAL137 KEAGSIVRLY147 VMRRKPPAEK157 VMEIKLIKGP 167 KGLGFSIAGG177 VGNQHIPGDN187 SIYVTKIIEG197 GAAHKDGRLQ207 IGDKILAVNS 217 VGLEDVMHED227 AVAALKNTYD237 VVYLKVAKP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The Dual PDZ Domain from Postsynaptic Density Protein 95 Forms a Scaffold with Peptide Ligand. Biophys J. 2020 Aug 4;119(3):667-689. | ||||
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