2WF4
Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | BETA-SECRETASE 1 | polymer | 392 | 43761.3 | 1 | UniProt (P56817) Pfam (PF00026) | HOMO SAPIENS (HUMAN) | BACE-1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, BETA-SITE APP CLEAVING ENZYME 1, ASP 2, ASP2 |
| 2 | B (A) | N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE | non-polymer | 570.7 | 1 | Chemie (ZY4) | |||
| 3 | C (A) | water | water | 18.0 | 312 | Chemie (HOH) |
Sequence modifications
A: 61 - 452 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gln 153 | Asn 153 | engineered mutation |
| Gln 172 | Asn 172 | engineered mutation |
| Gln 223 | Asn 223 | engineered mutation |
| Gln 354 | Asn 354 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43761.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 570.7 | |
| All* | Total formula weight | 44332.0 |
