E3Docker 2.0
- An Integrated Platform for E3 Ligase Discovery and Docking
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E3 ubiquitin-protein ligase XIAP
Uniprot accession number:
P98170
Recommend structure for docking:
4kju_A
Choose Structure:
4kju_A
4kjv_A
3hl5_A
3hl5_B
6gjw_C
6gjw_D
4kmp_B
5c3k_A
6h6r_A
4mtz_C
4mtz_D
5c0k_A
5c7d_A
5oqw_A
5oqw_B
5c7c_A
5m6e_A
5c83_A
5c7a_A
5c84_A
5m6m_A
5m6f_A
3cm2_A
3cm2_B
3cm2_C
3cm2_D
3cm2_E
3cm2_F
3cm2_G
3cm2_H
3cm2_I
3cm2_J
5m6h_A
5c0l_A
5m6l_A
6h6q_A
6h6q_B
5c3h_A
5c7b_A
3clx_A
3clx_B
3clx_C
3clx_D
6ey2_A
6ey2_B
6ey2_C
6ey2_D
6ey2_E
6ey2_F
6ey2_G
6ey2_H
2opy_A
2jk7_A
4hy0_A
4hy0_B
4hy0_C
4hy0_D
4hy0_E
4hy0_F
4hy0_G
4hy0_H
3eyl_A
3eyl_B
3g76_A
3g76_B
3g76_C
3g76_D
3g76_E
3g76_F
3g76_G
3g76_H
3cm7_A
3cm7_B
3cm7_C
3cm7_D
4ec4_A
4ec4_B
4ec4_C
4ec4_D
4ec4_E
4ec4_F
4ec4_G
4ec4_J
4ec4_K
4ec4_L
4j44_A
4j47_A
8gh7_A
8gh7_B
4kmp_A
1g73_C
1g73_D
2vsl_A
4j48_A
1nw9_A
1i3o_E
1i3o_F
2opz_A
2opz_B
2opz_C
2opz_D
1tfq_A
1tft_A
1c9q_A
1f9x_A
1g3f_A
AF(75)
Upload Receptor:
Optional. Upload a PDB receptor if you do not want to use a predefined E3 structure.
Select box:
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Retry structure loading
Please click to choose the center
Input Ligand:
Upload your molecule
Draw your molecule
Search ligand database
Library ligand selected: BDBM13194 (BDB000192)
BDB000192.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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