3DSI
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 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 | 55766.6 | 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,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid | non-polymer | 294.4 | 1 | Chemie (T24) PubChem (22041877) PubChem (25015073) PubChem (35025267) PubChem (643552) PubChem (643726) PubChem (53394276) PubChem (54000793) PubChem (57369995) PubChem (10469728) PubChem (16061072) PubChem (124584842) PubChem (133114396) PubChem (140314436) PubChem (163185400) | |||
| 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 | 807 | 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 |
| 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 | 111533.2 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2032.1 | |
| All* | Total formula weight | 113565.3 |
