3OHF
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Beta-secretase 1 | polymer | 455 | 50220.5 | 2 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
2 | A, B | N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide | non-polymer | 598.8 | 2 | Chemie (3HF) | |||
3 | A, B | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
4 | A, B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
5 | water | water | 18.0 | 802 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 441 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Met -13 | - | EXPRESSION TAG |
Ala -12 | - | EXPRESSION TAG |
Ser -11 | - | EXPRESSION TAG |
Met -10 | - | EXPRESSION TAG |
Thr -9 | - | EXPRESSION TAG |
Gly -8 | - | EXPRESSION TAG |
Gly -7 | - | EXPRESSION TAG |
Gln -6 | - | EXPRESSION TAG |
Gln -5 | - | EXPRESSION TAG |
Met -4 | - | EXPRESSION TAG |
Gly -3 | - | EXPRESSION TAG |
Arg -2 | - | EXPRESSION TAG |
Gly -1 | - | EXPRESSION TAG |
Ser 0 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 100441.0 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1635.5 | |
All* | Total formula weight | 102076.5 |