5TFT
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
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, D | Cytochrome P450 2D6 | polymer | 479 | 53730.6 | 4 | UniProt (P10635) Pfam (PF00067) In PDB | Homo sapiens (Human) | CYPIID6,Cholesterol 25-hydroxylase,Cytochrome P450-DB1,Debrisoquine 4-hydroxylase |
2 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
3 | A, B, C, D | ZINC ION | non-polymer | 65.4 | 5 | Chemie (ZN) | |||
4 | A, B, C, D | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | non-polymer | 379.4 | 4 | Chemie (P6U) | |||
5 | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 34 - 497 (UniProt: P10635)
PDB | External Database | Details |
---|---|---|
Met 23 | - | initiating methionine |
Ala 24 | - | expression tag |
Lys 25 | - | expression tag |
Lys 26 | - | expression tag |
Thr 27 | - | expression tag |
Ser 28 | - | expression tag |
Ser 29 | - | expression tag |
Lys 30 | - | expression tag |
Gly 31 | - | expression tag |
Lys 32 | - | expression tag |
Leu 33 | - | expression tag |
His 498 | - | expression tag |
His 499 | - | expression tag |
His 500 | - | expression tag |
His 501 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 214922.3 | |
Non-Polymers* | Number of molecules | 13 |
Total formula weight | 4310.6 | |
All* | Total formula weight | 219232.8 |