8HJ8
Crystal structure of barley exohydrolase isoform ExoI E220A mutant in complex with 2-deoxy-2-fluoro-D-glucopyranosides
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Glyco_hydro_3 domain-containing protein | polymer | 609 | 65836.0 | 1 | UniProt (A0A8I6XKI1) Pfam (PF00933) Pfam (PF01915) UniProt (by SIFTS) (Q9XEI3) | Hordeum vulgare | |
| 2 | B, C, D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 3 | E (A) | 2-deoxy-2-fluoro-alpha-D-glucopyranose | non-polymer | 182.1 | 1 | Chemie (G2F) | |||
| 4 | F (A) | 2-deoxy-2-fluoro-beta-D-glucopyranose | non-polymer | 182.1 | 1 | Chemie (SHG) | |||
| 5 | G, H, I, J, K (A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | L, M, N, O, P... (A) | ACETATE ION | non-polymer | 59.0 | 11 | Chemie (ACT) | |||
| 7 | W, X, Y (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 8 | Z (A) | water | water | 18.0 | 629 | Chemie (HOH) |
Sequence modifications
A: 0 - 605 (UniProt: A0A8I6XKI1)
| PDB | External Database | Details |
|---|---|---|
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Ala 220 | Glu 297 | engineered mutation |
| Lys 320 | Asn 397 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 65836.0 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 2426.1 | |
| All* | Total formula weight | 68262.1 |
