Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80454 | Target Info | |||
| Target Name | T-lymphoma invasion and metastasis 1 (TIAM1) | ||||
| Synonyms | TIAM-1; T-lymphoma invasion and metastasis-inducing protein 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | TIAM1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5-(Dimethylamino)naphthalene-1-sulfonic acid | Ligand Info | |||
| Canonical SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O | ||||
| InChI | 1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16) | ||||
| InChIKey | BBEQQKBWUHCIOU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1792 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4GVC Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [1] |
| PDB Sequence |
GAMGKVTHSI
846 HIEKSDTAAD856 TYGFSLSSVE866 EDGIRRLYVN876 SVKETGLASK886 KGLKAGDEIL 896 EINNRAADAL906 NSSMLKDFLS916 QPSLGLLVRT926 YPEL
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| PDB ID: 4NXR Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
GAMGKVTHSI
846 HIEKSDTAAD856 TYGFSLSSVE866 EDGIRRLYVN876 SVKETGLASK886 KGLKAGDEIL 896 EINNRAADAL906 NSSMMEDFFS916 QPSVGLLVRT926 YPEL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics. Structure. 2013 Mar 5;21(3):342-54. | ||||
| REF 2 | Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions. Structure. 2016 Dec 6;24(12):2053-2066. | ||||
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