5KQF
(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1
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 | 455 | 50220.5 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (Human) | Aspartyl protease 2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2 |
2 | A | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine | non-polymer | 320.4 | 1 | Chemie (6WD) | |||
3 | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
Total formula weight | 50220.5 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 320.4 | |
All* | Total formula weight | 50540.9 |