2XFI
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | BETA-SECRETASE 1 | polymer | 392 | 43761.3 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | HOMO SAPIENS (HUMAN) | BACE-1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, BETA-SITE APP CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP2, ASP 2 |
| 2 | A | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | non-polymer | 606.8 | 1 | Chemie (XFI) | |||
| 3 | water | water | 18.0 | 402 | 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 | 606.8 | |
| All* | Total formula weight | 44368.1 |
