E3Docker 2.0
- An Integrated Platform for E3 Ligase Discovery and Docking
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Histone acetyltransferase KAT6A
Uniprot accession number:
Q92794
Recommend structure for docking:
2ozu_A
Choose Structure:
2ozu_A
8dd5_A
2rc4_A
5b78_A
3v43_A
5b77_A
4lk9_A
4lka_A
5b76_A
5b75_A
6lsb_A
4llb_A
4llb_B
4ljn_A
2ln0_A
AF(49)
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: BDBM50651510 (BDB065330)
BDB065330.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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