6XZ9
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
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) | Cytochrome P450 11B2, mitochondrial | polymer | 489 | 56242.2 | 3 | UniProt (P19099) Pfam (PF00067) | Homo sapiens (Human) | Aldosterone synthase,ALDOS,Aldosterone-synthesizing enzyme,CYPXIB2,Corticosterone 18-monooxygenase,CYP11B2,Cytochrome P-450Aldo,Cytochrome P-450C18,Steroid 11-beta-hydroxylase,Steroid 18-hydroxylase |
| 2 | D, F, H (A, B, C) | HEME C | non-polymer | 618.5 | 3 | Chemie (HEC) | |||
| 3 | E, G, I (A, B, C) | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one | non-polymer | 451.9 | 3 | Chemie (O4W) PubChem (146171290) | |||
| 4 | J, K, L (A, B, C) | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B, C: 28 - 503 (UniProt: P19099)
| PDB | External Database | Details |
|---|---|---|
| Met 24 | - | initiating methionine |
| Ala 25 | - | expression tag |
| Thr 26 | - | expression tag |
| Lys 27 | - | expression tag |
| Gly 504 | - | expression tag |
| Gly 505 | - | expression tag |
| Arg 506 | - | expression tag |
| His 507 | - | expression tag |
| His 508 | - | expression tag |
| His 509 | - | expression tag |
| His 510 | - | expression tag |
| His 511 | - | expression tag |
| His 512 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 168726.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 3211.2 | |
| All* | Total formula weight | 171937.8 |
