2VIJ
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
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) | BETA-SITE APP CLEAVING ENZYME 1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2, BACE-1 |
| 2 | B, C (A) | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | non-polymer | 590.8 | 2 | Chemie (C44) | |||
| 3 | D (A) | water | water | 18.0 | 380 | 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 | 2 |
| Total formula weight | 1181.6 | |
| All* | Total formula weight | 44942.9 |
