Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T32973 | Target Info | |||
| Target Name | Legumain (LGMN) | ||||
| Synonyms | Protease, cysteine 1; PRSC1; Asparaginyl endopeptidase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | LGMN | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3S)-3-Aminopyrrolidine-2,5-dione | Ligand Info | |||
| Canonical SMILES | C1C(C(=O)NC1=O)N | ||||
| InChI | 1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1 | ||||
| InChIKey | YDNMHDRXNOHCJH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 13373305 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5LU8 CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
GGKHWVVIVA
35 GSNGWYNYRH45 QADACHAYQI55 IHRNGIPDEQ65 IVVMMYDDIA75 YSEDNPTPGI 85 VINRPNGTDV95 YQGVPKDYTG105 EDVTPQNFLA115 VLRGDAEAVK125 GIGSGKVLKS 135 GPQDHVFIYF145 THGSTGILVF156 PNEDLHVKDL166 NETIHYMYKH176 KMYRKMVFYI 186 EACESGSMMN196 HLPDNINVYA206 TTAANPRESS216 YACYYDEKRS226 TYLGDWYSVN 236 WMEDSDVEDL246 TKETLHKQYH256 LVKSHTQTSH266 VMQYGNKTIS276 TMKVMQFQGM 286 KR
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| PDB ID: 5LU9 Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | Yes | [1] |
| PDB Sequence |
GGKHWVVIVA
35 GSNGWYNYRH45 QADACHAYQI55 IHRNGIPDEQ65 IVVMMYDDIA75 YSEDNPTPGI 85 VINRPNGTDV95 YQGVPKDYTG105 EDVTPQNFLA115 VLRGDAEAVK125 GIGSGKVLKS 135 GPQDHVFIYF145 THGSTGILVF156 PNEDLHVKDL166 NETIHYMYKH176 KMYRKMVFYI 186 EACESGSMMN196 HLPDNINVYA206 TTAANPRESS216 YACYYDEKRS226 TYLGDWYSVN 236 WMEDSDVEDL246 TKETLHKQYH256 LVKSHTQTSH266 VMQYGNKTIS276 TMKVMQFQGM 286 KR
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| PDB ID: 5LUA Crystal structure of human legumain (AEP) in complex with compound 11b | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
GGKHWVVIVA
35 GSNGWYNYRH45 QADACHAYQI55 IHRNGIPDEQ65 IVVMMYDDIA75 YSEDNPTPGI 85 VINRPNGTDV95 YQGVPKDYTG105 EDVTPQNFLA115 VLRGDAEAVK125 GIGSGKVLKS 135 GPQDHVFIYF145 THGSTGILVF156 PNEDLHVKDL166 NETIHYMYKH176 KMYRKMVFYI 186 EACESGSMMN196 HLPDNINVYA206 TTAANPRESS216 YACYYDEKRS226 TYLGDWYSVN 236 WMEDSDVEDL246 TKETLHKQYH256 LVKSHTQTSH266 VMQYGNKTIS276 TMKVMQFQGM 286 K
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| PDB ID: 5LUB Crystal structure of human legumain (AEP) in complex with compound 11 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
GGKHWVVIVA
35 GSNGWYNYRH45 QADACHAYQI55 IHRNGIPDEQ65 IVVMMYDDIA75 YSEDNPTPGI 85 VINRPNGTDV95 YQGVPKDYTG105 EDVTPQNFLA115 VLRGDAEAVK125 GIGSGKVLKS 135 GPQDHVFIYF145 THGSTGILVF156 PNEDLHVKDL166 NETIHYMYKH176 KMYRKMVFYI 186 EACESGSMMN196 HLPDNINVYA206 TTAANPRESS216 YACYYDEKRS226 TYLGDWYSVN 236 WMEDSDVEDL246 TKETLHKQYH256 LVKSHTQTSH266 VMQYGNKTIS276 TMKVMQFQGM 286 K
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun. 2017 Mar 27;8:14740. | ||||
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