Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94980 | Target Info | |||
| Target Name | E3 ubiquitin-protein ligase NEDD4 (NEDD4) | ||||
| Synonyms | Neural precursor cell expressed developmentally down-regulated protein 4; NEDD4-1; NEDD-4; KIAA0093; HECT-type E3 ubiquitin transferase NEDD4; Cell proliferation-inducing gene 53 protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | NEDD4 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Guanidine | Ligand Info | |||||
| Structure Description | Crystal Structure of the Complex of 3rd WW domain of Human Nedd4 and 1st PPXY Motif of ARRDC3 | PDB:4N7H | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
GFLPKGWEVR
430 HAPNGRPFFI440 DHNTKTTTWE450 DPR
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| Ligand Name: methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | Ligand Info | |||||
| Structure Description | NEDD4 HECT with covalently bound indole-based inhibitor | PDB:5C91 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [2] |
| PDB Sequence |
SRDYKRKYEF
528 FRRKLKKQND538 IPNKFEMKLR548 RATVLEDSYR558 RIMGVKRADF568 LKARLWIEFD 578 GEKGLDYGGV588 AREWFFLISK598 EMFNPYYGLF608 EYSATDNYTL618 QINPNSGLCN 628 EDHLSYFKFI638 GRVAGMAVYH648 GKLLDGFFIR658 PFYKMMLHKP668 ITLHDMESVD 678 SEYYNSLRWI688 LENDPTELDL698 RFIIDEELFG708 QTHQHELKNG718 GSEIVVTNKN 728 KKEYIYLVIQ738 WRFVNRIQKQ748 MAAFKEGFFE758 LIPQDLIKIF768 DENELELLMC 778 GLGDVDVNDW788 REHTKYKNGY798 SANHQVIQWF808 WKAVLMMDSE818 KRIRLLQFVT 828 GTSRVPMNGF838 AELYGSNGPQ848 SFTVEQWGTP858 EKLPRAHTCF868 NRLDLPPYES 878 FEELWDKLQM888 AIENT
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3). J Biol Chem. 2014 Feb 21;289(8):4743-52. | ||||
| REF 2 | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J Am Chem Soc. 2015 Oct 7;137(39):12442-5. | ||||
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