UniProt Q99538
Legumain (Q99538)
Legumain (UniProt Q99538), EC 3.4.22.34: 28 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 30 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q99538
- Protein
- Legumain
- EC
- 3.4.22.34
- Experimental structures
- 28
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 30 · 6 records with a druggable one
Structures
29 records of Q99538 in the MolNFT archive: 28 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4AW9 | Crystal structure of active legumain in complex with YVAD-CMK | x-ray diffraction | A | — | — |
| 4AW9 | Crystal structure of active legumain in complex with yvad-cmk | x-ray diffraction | A | — | — |
| 4AWA | Crystal structure of active legumain in complex with YVAD-CMK at pH 5.0 | x-ray diffraction | A | — | — |
| 4AWA | Crystal structure of active legumain in complex with yvad-cmk at pH 5.0 | x-ray diffraction | A | — | — |
| 4AWB | Crystal structure of active legumain in complex with AAN-CMK | x-ray diffraction | A, B | — | — |
| 4AWB | Crystal structure of active legumain in complex with aan-cmk | x-ray diffraction | A, B | — | — |
| 4FGU | Crystal structure of prolegumain | x-ray diffraction | A, B | — | — |
| 4FGU | Crystal structure of prolegumain | x-ray diffraction | A, B | — | — |
| 4N6N | Crystal structure of oxidized legumain in complex with cystatin E/M | x-ray diffraction | A | — | — |
| 4N6N | Crystal structure of oxidized legumain in complex with cystatin E/M | x-ray diffraction | A | — | — |
| 4N6O | Crystal structure of reduced legumain in complex with cystatin E/M | x-ray diffraction | A | — | — |
| 4N6O | Crystal structure of reduced legumain in complex with cystatin E/M | x-ray diffraction | A | — | — |
| 5LU8 | Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11B | x-ray diffraction | A | SO4, NAG, EMC, 5KN | — |
| 5LU8 | Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11B | x-ray diffraction | A | ACE, 0QE, SNN, SO4, NAG, EMC | — |
| 5LU9 | Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 | x-ray diffraction | A | NAG, SO4, 3Y7 | — |
| 5LU9 | Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11 | x-ray diffraction | A | ACE, 0QE, SNN, NAG, SO4, 3Y7 | — |
| 5LUA | Crystal structure of human legumain (AEP) in complex with compound 11b | x-ray diffraction | A, B | NAG, 5KN | 3 (best 0.53) |
| 5LUA | Crystal structure of human legumain (aep) in complex with compound 11B | x-ray diffraction | A, B | SNN, NAG, 5KN | — |
| 5LUB | Crystal structure of human legumain (AEP) in complex with compound 11 | x-ray diffraction | B, A | NAG, 3Y7 | 3 (best 0.53) |
| 5LUB | Crystal structure of human legumain (aep) in complex with compound 11 | x-ray diffraction | B, A | SNN, NAG, 3Y7 | — |
| 7FQH | Crystal Structure of human Legumain in complex with… | x-ray diffraction | A, B, D | WR9, NAG | 3 (best 0.66) |
| 7FQI | Crystal Structure of human Legumain in complex with… | x-ray diffraction | A, B, C | NAG, WSN | 5 (best 0.79) |
| 7FQJ | Crystal Structure of human Legumain in complex with… | x-ray diffraction | A, B, C | NAG, WSN, MG, SO4 | — |
| 7FQK | Crystal Structure of human Legumain in complex with… | x-ray diffraction | A, B, C, D | NAG, WS9 | 6 (best 0.73) |
| 7O50 | Crystal structure of human legumain in complex with Gly-Ser-Asn peptide | x-ray diffraction | A, B | NAG | 3 (best 0.40) |
| 7O50 | Crystal structure of human legumain in complex with gly-ser-asn peptide | x-ray diffraction | A, B | SNN, ACE, NAG | — |
| 8AE4 | Crystal structure of human legumain in complex with Clitocypin 2 | x-ray diffraction | A | NAG | 2 (best 0.40) |
| 8AE5 | Crystal structure of human legumain in complex with macrocypin 1a | x-ray diffraction | A, B | NAG, SO4 | 5 (best 0.62) |
| Q99538 | AlphaFold monomer V2.0 prediction for legumain (Q99538) | predicted | A | — | — |
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 16 records
- SO4 · Sulfate ion · in 6 records
- SNN · L-3-aminosuccinimide · in 5 records
- 3Y7 · 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine · in 4 records
- 5KN · 2,4-di(morpholin-4-yl)aniline · in 4 records
- ACE · Acetyl group · in 3 records
- 0QE · Chloromethane · in 2 records
- EMC · Ethyl mercury ion · in 2 records
- WSN · N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide · in 2 records
- MG · Magnesium ion · in 1 record
- WR9 · N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide · in 1 record
- WS9 · N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide · in 1 record
Experiment against prediction
- 7FQJ chain C against the predicted model Q99538: TM-score 1.00, RMSD 0.33 Å
- 7FQK chain D against the predicted model Q99538: TM-score 1.00, RMSD 0.33 Å
- 7FQI chain C against the predicted model Q99538: TM-score 1.00, RMSD 0.35 Å
- 7FQK chain C against the predicted model Q99538: TM-score 1.00, RMSD 0.38 Å
- 7FQK chain B against the predicted model Q99538: TM-score 1.00, RMSD 0.40 Å
- 7FQH chain B against the predicted model Q99538: TM-score 1.00, RMSD 0.41 Å
- 7FQH chain D against the predicted model Q99538: TM-score 0.99, RMSD 0.43 Å
- 7FQK chain A against the predicted model Q99538: TM-score 0.99, RMSD 0.49 Å
- 7FQH chain A against the predicted model Q99538: TM-score 0.99, RMSD 0.47 Å
- 7FQI chain B against the predicted model Q99538: TM-score 0.99, RMSD 0.66 Å
Elsewhere
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