7FQK
Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-yn-3-yl]-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Legumain | polymer | 444 | 50877.7 | 4 | UniProt (Q99538) Pfam (PF01650) Pfam (PF20985) In PDB | Homo sapiens (human) | Asparaginyl endopeptidase,Protease,cysteine 1 |
| 2 | E | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | A, B, D | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | A, B, C, D | 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 | non-polymer | 506.5 | 4 | Chemie (WS9) | |||
| 5 | A, B, D | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 6 | B, D | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 7 | water | water | 18.0 | 537 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 18 - 433 (UniProt: Q99538)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
| Lys 1 | - | expression tag |
| Leu 2 | - | expression tag |
| Cys 3 | - | expression tag |
| Ile 4 | - | expression tag |
| Leu 5 | - | expression tag |
| Leu 6 | - | expression tag |
| Ala 7 | - | expression tag |
| Val 8 | - | expression tag |
| Val 9 | - | expression tag |
| Ala 10 | - | expression tag |
| Phe 11 | - | expression tag |
| Val 12 | - | expression tag |
| Gly 13 | - | expression tag |
| Leu 14 | - | expression tag |
| Ser 15 | - | expression tag |
| Leu 16 | - | expression tag |
| Gly 17 | - | expression tag |
| Snn 147 | Asp 147 | conflict |
| Gln 272 | Asn 272 | conflict |
| Val 434 | - | expression tag |
| Asp 435 | - | expression tag |
| His 436 | - | expression tag |
| His 437 | - | expression tag |
| His 438 | - | expression tag |
| His 439 | - | expression tag |
| His 440 | - | expression tag |
| His 441 | - | expression tag |
| His 442 | - | expression tag |
| His 443 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 203510.7 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 3266.2 | |
| All* | Total formula weight | 207201.3 |
