3UQR
Crystal structure of BACE1 with its inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 433 | 48339.1 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | BACE1, Aspartyl protease 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2 |
| 2 | D, E, F (D, E, F) | METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | polymer | 7 | 1024.2 | 3 | BIRD (PRD_000893) | synthetic construct | |
| 3 | G, H, I, J, K (A, B, C, D, E) | water | water | 18.0 | 83 | Chemie (HOH) |
Sequence modifications
A, B, C: -18 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -39 | - | expression tag |
| Gly -38 | - | expression tag |
| Ser -37 | - | expression tag |
| Ser -36 | - | expression tag |
| His -35 | - | expression tag |
| His -34 | - | expression tag |
| His -33 | - | expression tag |
| His -32 | - | expression tag |
| His -31 | - | expression tag |
| His -30 | - | expression tag |
| Ser -29 | - | expression tag |
| Ala -28 | - | expression tag |
| Gly -27 | - | expression tag |
| Glu -26 | - | expression tag |
| Asn -25 | - | expression tag |
| Leu -24 | - | expression tag |
| Tyr -23 | - | expression tag |
| Phe -22 | - | expression tag |
| Gln -21 | - | expression tag |
| Gly -20 | - | expression tag |
| Thr -19 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 148089.9 | |
| All* | Total formula weight | 148089.9 |
