3B2S
Crystal Structure of F. graminearum TRI101 complexed with Coenzyme A and Deoxynivalenol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Trichothecene 3-O-acetyltransferase | polymer | 451 | 49449.1 | 1 | UniProt (Q9HDE2) UniProt (by SIFTS) (O42692) | Gibberella zeae | |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 3 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 4 | D (A) | COENZYME A | non-polymer | 767.5 | 1 | Chemie (COA) | |||
| 5 | E (A) | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one | non-polymer | 296.3 | 1 | Chemie (B2S) PubChem (20056728) PubChem (21635114) PubChem (23872097) PubChem (44715213) PubChem (45933563) PubChem (49868109) PubChem (49874200) PubChem (176639552) PubChem (98043268) PubChem (6432495) PubChem (13456585) PubChem (40024) PubChem (430147) PubChem (92222956) PubChem (92222957) PubChem (92222958) PubChem (92222959) PubChem (442408) PubChem (95566296) PubChem (95566297) PubChem (98043267) PubChem (98051113) PubChem (100853641) PubChem (100853642) PubChem (102056365) PubChem (6321385) PubChem (132285123) PubChem (134693984) PubChem (138107732) PubChem (146159076) PubChem (13456578) PubChem (13456586) PubChem (13456591) PubChem (13456592) PubChem (166505110) | |||
| 6 | F (A) | 3[N-MORPHOLINO]PROPANE SULFONIC ACID | non-polymer | 209.3 | 1 | Chemie (MPO) PubChem (70807) | |||
| 7 | G (A) | water | water | 18.0 | 427 | Chemie (HOH) |
Sequence modifications
A: 1 - 444 (UniProt: Q9HDE2)
| PDB | External Database | Details |
|---|---|---|
| Lys 445 | - | insertion |
| Tyr 446 | - | insertion |
| Ala 447 | - | insertion |
| Gln 448 | - | insertion |
| Tyr 449 | - | insertion |
| Val 450 | - | insertion |
| Gly 451 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49449.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1320.4 | |
| All* | Total formula weight | 50769.5 |
