4XRZ
Human Cytochrome P450 2D6 BACE1 Inhibitor 6 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,Cytochrome P450-DB1,Debrisoquine 4-hydroxylase |
2 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
3 | D, A, B, C | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine | non-polymer | 350.4 | 4 | Chemie (SI6) | |||
4 | D, A, B, C | ZINC ION | non-polymer | 65.4 | 12 | Chemie (ZN) | |||
5 | D, A, B, C | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
6 | D, A, B, C | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
7 | water | water | 18.0 | 343 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 34 - 497 (UniProt: P10635)
PDB | External Database | Details |
---|---|---|
Met 23 | - | expression tag |
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 | 28 |
Total formula weight | 5112.7 | |
All* | Total formula weight | 220035.0 |