2WF3
Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-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,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | non-polymer | 580.7 | 1 | Chemie (ZY3) | |||
| 3 | C, D, E, F (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | G (A) | water | water | 18.0 | 289 | 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 | 5 |
| Total formula weight | 949.1 | |
| All* | Total formula weight | 44710.4 |
