3LPJ
Structure of BACE Bound to SCH743641
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Beta-secretase 1 | polymer | 455 | 50220.5 | 2 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | C, E (A, B) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 2 | Chemie (TLA) PubChem (875) PubChem (5851) PubChem (78956) PubChem (439655) PubChem (444305) PubChem (447315) | |||
| 3 | D, F (A, B) | N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | non-polymer | 606.7 | 2 | Chemie (Z75) PubChem (70337161) PubChem (70920747) PubChem (11707063) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 934 | Chemie (HOH) |
Sequence modifications
A, B: 14 - 454 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | expression tag |
| Ala 1 | - | expression tag |
| Ser 2 | - | expression tag |
| Met 3 | - | expression tag |
| Thr 4 | - | expression tag |
| Gly 5 | - | expression tag |
| Gly 6 | - | expression tag |
| Gln 7 | - | expression tag |
| Gln 8 | - | expression tag |
| Met 9 | - | expression tag |
| Gly 10 | - | expression tag |
| Arg 11 | - | expression tag |
| Gly 12 | - | expression tag |
| Ser 13 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 100441.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1513.7 | |
| All* | Total formula weight | 101954.6 |
