5XXO
Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose
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) | Periplasmic beta-glucosidase | polymer | 760 | 84017.6 | 2 | UniProt (Q8A1U1) Pfam (PF00933) Pfam (PF01915) Pfam (PF14310) | Bacteroides thetaiotaomicron VPI-5482 | |
| 2 | C (C) | beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose | branched | 504.4 | 1 | In PDB GlyTouCan (G74665DT) | |||
| 3 | D, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E (A) | beta-D-glucopyranose | non-polymer | 180.2 | 1 | Chemie (BGC) | |||
| 5 | F (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | G (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 7 | I, J (A, B) | water | water | 18.0 | 729 | Chemie (HOH) |
Sequence modifications
A, B: 21 - 771 (UniProt: Q8A1U1)
| PDB | External Database | Details |
|---|---|---|
| Met 20 | - | expression tag |
| Asn 286 | Asp 286 | engineered mutation |
| Leu 772 | - | expression tag |
| Glu 773 | - | expression tag |
| His 774 | - | expression tag |
| His 775 | - | expression tag |
| His 776 | - | expression tag |
| His 777 | - | expression tag |
| His 778 | - | expression tag |
| His 779 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 168035.1 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 504.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 529.1 | |
| All* | Total formula weight | 169068.7 |
