E3Docker 2.0
- An Integrated Platform for E3 Ligase Discovery and Docking
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Kelch domain-containing protein 2
Uniprot accession number:
Q9Y2U9
Recommend structure for docking:
8pif_A
Choose Structure:
8pif_A
8pif_B
8ebl_A
8ebl_B
8ebm_A
8ebm_B
6do3_A
6do3_B
6do4_A
6do4_B
6do5_A
6do5_B
AF(90)
Upload Receptor:
Optional. Upload a PDB receptor if you do not want to use a predefined E3 structure.
Select box:
Select predefined box
Define user-specified box
Please select the box
Retry structure loading
Please click to choose the center
Input Ligand:
Upload your molecule
Draw your molecule
Search ligand database
Library ligand selected: SJ46418 (LIG001829)
LIG001829.sdf
Example input ligand file formats:
[For a single molecule:
mol2
,
sdf
,
smi
]
[For multiple molecules:
mol2
,
sdf
,
smi
]
(The number of small molecules for batch docking shall not exceed 50.)
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Open database
Local MOL2/SDF structures can be selected for docking; E3-ligand records without local files are shown with external 3D download links.
Selected ligand 3D structure
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