E3Docker 2.0
- An Integrated Platform for E3 Ligase Discovery and Docking
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Poly [ADP-ribose] polymerase 1
Uniprot accession number:
P09874
Recommend structure for docking:
7aac_A
Choose Structure:
7aac_A
7aac_B
7kk5_A
7kk5_B
7kk5_C
7kk5_D
6ntu_A
7ont_A
7ont_B
4zzz_A
4zzz_B
5ws1_A
5ws1_B
7kk4_A
7kk4_B
7ons_A
7ons_B
6m3i_B
6xvw_A
6xvw_B
7onr_A
7onr_B
7kk3_A
7kk3_B
7kk3_C
7kk3_D
7kk6_A
7kk6_B
6vkk_A
6vkk_B
6vkk_C
6vkk_D
8he7_A
8he7_B
4l6s_A
4l6s_B
4r6e_A
4r6e_B
4r6e_C
4r6e_D
4und_A
4und_B
5wrz_A
5wrz_B
5wtc_A
5wtc_B
7aad_A
7aad_B
6ghk_A
6ghk_B
2rd6_A
3gjw_A
5kpn_A
5kpn_B
5wry_A
5wry_B
5xsr_A
5xst_A
6bhv_A
6bhv_B
6bhv_C
6bhv_D
5kpp_A
5kpp_B
4pjt_A
4pjt_B
4pjt_C
4pjt_D
4hhy_A
4hhy_B
4hhy_C
4hhy_D
5xsu_A
5xsu_B
5xsu_C
5xsu_D
3gn7_A
3l3l_A
3l3m_A
5kpq_A
5kpq_B
5ds3_A
5ws0_A
5ws0_B
5kpo_A
5kpo_B
5wrq_A
5wrq_B
7cmw_A
7cmw_B
4hhz_A
4hhz_B
4hhz_C
4hhz_D
5a00_A
2rcw_A
6vko_A
6vko_B
6vko_C
6vko_D
7aab_A
7aab_B
4r5w_A
4r5w_B
4gv7_A
4gv7_B
4gv7_C
4gv7_D
6vkq_A
6vkq_B
6vkq_C
6vkq_D
1uk0_A
1uk0_B
1uk1_A
1uk1_B
1wok_A
1wok_B
1wok_C
1wok_D
7s6h_B
7s6h_D
4rv6_A
4rv6_B
4uxb_A
4uxb_B
4opx_C
4oqb_C
4oqa_C
5ha9_B
2riq_A
3od8_A
3od8_B
3od8_C
3od8_D
3od8_E
3od8_F
3od8_G
3od8_H
3oda_A
3oda_B
3oda_C
3oda_D
3oda_E
3oda_F
3oda_G
3oda_H
3odc_A
3odc_B
3ode_A
3ode_B
4av1_A
4av1_B
4av1_C
4av1_D
7s6h_A
7s6h_C
7s6m_A
7s6m_B
7s6m_C
7s6m_D
4dqy_A
4dqy_B
4dqy_C
4dqy_D
4dqy_E
4dqy_F
7s68_A
7s68_B
4opx_A
4opx_D
4opx_F
4oqb_A
4oqb_D
4oqb_F
7scz_K
7s81_A
7s81_B
7s81_C
7s81_F
7s81_G
7s81_H
7s81_I
7s81_J
7s81_K
7s81_N
7s81_O
7s81_P
4oqa_A
4oqa_D
4oqa_F
7scy_K
2cs2_A
2dmj_A
2jvn_A
2l30_A
2l31_A
2n8a_A
AF(83)
Upload Receptor:
Optional. Upload a PDB receptor if you do not want to use a predefined E3 structure.
Select box:
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Please click to choose the center
Input Ligand:
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Search ligand database
Library ligand selected: Apigenin (BDB000087)
BDB000087.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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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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