3DSK
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Cytochrome P450 74A, chloroplast | polymer | 495 | 55732.6 | 2 | UniProt (Q96242) Pfam (PF00067) | Arabidopsis thaliana (mouse-ear cress) | Allene oxide synthase, Hydroperoxide dehydrase |
| 2 | C, H (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D (A) | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid | non-polymer | 296.4 | 1 | Chemie (T25) PubChem (1416) PubChem (176959) PubChem (3080555) PubChem (5283014) PubChem (5356421) PubChem (6449780) PubChem (12444770) PubChem (12444771) PubChem (12444772) PubChem (40491783) PubChem (40491781) PubChem (5281128) PubChem (53714214) PubChem (89013300) PubChem (100958169) | |||
| 4 | E, I (A, B) | N-OCTANE | non-polymer | 114.2 | 2 | Chemie (OCT) PubChem (356) | |||
| 5 | F, G, J (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) PubChem (753) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 748 | Chemie (HOH) |
Sequence modifications
A, B: 34 - 518 (UniProt: Q96242)
| PDB | External Database | Details |
|---|---|---|
| Met 28 | - | expression tag |
| Ala 29 | - | expression tag |
| Lys 30 | - | expression tag |
| Lys 31 | - | expression tag |
| Thr 32 | - | expression tag |
| Ser 33 | - | expression tag |
| Leu 137 | Phe 137 | engineered mutation |
| His 519 | - | expression tag |
| His 520 | - | expression tag |
| His 521 | - | expression tag |
| His 522 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 111465.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2034.2 | |
| All* | Total formula weight | 113499.3 |
