7DKT
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | beta-glucosidase | polymer | 799 | 91736.1 | 1 | UniProt (F6BL85) | Thermoanaerobacterium xylanolyticum LX-11 | |
| 2 | B (A) | alpha-D-glucopyranosyl fluoride | non-polymer | 182.1 | 1 | Chemie (GLF) PubChem (21600205) PubChem (150967) PubChem (444915) PubChem (4465565) PubChem (10921145) PubChem (11126887) PubChem (11286835) PubChem (11412739) PubChem (11816235) PubChem (13643247) PubChem (129668793) PubChem (129685662) PubChem (131107081) PubChem (131215288) PubChem (133620782) PubChem (135085714) PubChem (157225707) PubChem (157225708) PubChem (163321034) PubChem (166604477) PubChem (172641965) | |||
| 3 | C, D, E, F, G... (A) | GLYCEROL | non-polymer | 92.1 | 13 | Chemie (GOL) PubChem (753) | |||
| 4 | P (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) PubChem (271) | |||
| 5 | Q (A) | water | water | 18.0 | 652 | Chemie (HOH) |
Sequence modifications
A: 19 - 806 (UniProt: F6BL85)
| PDB | External Database | Details |
|---|---|---|
| Ala 16 | - | expression tag |
| Met 17 | - | expression tag |
| Ala 18 | - | expression tag |
| Ala 441 | Glu 441 | engineered mutation |
| Leu 807 | - | expression tag |
| Glu 808 | - | expression tag |
| His 809 | - | expression tag |
| His 810 | - | expression tag |
| His 811 | - | expression tag |
| His 812 | - | expression tag |
| His 813 | - | expression tag |
| His 814 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 91736.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1419.4 | |
| All* | Total formula weight | 93155.6 |
