Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: (3S)-3-Aminopyrrolidine-2,5-dione | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | PDB:5LU8 | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,4-Di-morpholin-4-yl-phenylamine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | PDB:5LU8 | ||||
| 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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| Ligand Name: Chloromethane | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | PDB:5LU8 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0QE or .0QE2 or .0QE3 or :30QE;style chemicals stick;color identity;select .A:148 or .A:149 or .A:189 or .A:215 or .A:216; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 7-(Morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human legumain (AEP) in complex with compound 11 | PDB:5LUB | ||||
| 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
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3Y7 or .3Y72 or .3Y73 or :33Y7;style chemicals stick;color identity;select .B:44 or .B:45 or .B:148 or .B:187 or .B:188 or .B:189 or .B:215 or .B:216 or .B:217 or .B:218 or .B:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
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| 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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