2WF1
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-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 | BETA-SECRETASE 1 | polymer | 392 | 43761.3 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | HOMO SAPIENS (HUMAN) | 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, BACE-1 |
2 | A | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | non-polymer | 590.7 | 1 | Chemie (ZY1) | |||
3 | water | water | 18.0 | 371 | 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 | 590.7 | |
All* | Total formula weight | 44352.0 |