3WLJ
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with 3-deoxy-glucose
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-D-glucan exohydrolase isoenzyme ExoI | polymer | 605 | 65475.6 | 1 | UniProt (Q9XEI3) Pfam (PF00933) Pfam (PF01915) | Hordeum vulgare subsp. vulgare (barley two-rowed barley) | |
| 2 | B (B) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 3 | C (C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1098.0 | 1 | In PDB GlyTouCan (G91583AW) | |||
| 4 | D (D) | beta-D-xylopyranose-(1-2)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 864.8 | 1 | In PDB GlyTouCan (G92376VV) | |||
| 5 | E (A) | beta-D-glucopyranose | non-polymer | 180.2 | 1 | Chemie (BGC) | |||
| 6 | F (A) | 3-deoxy-beta-D-glucopyranose | non-polymer | 164.2 | 1 | Chemie (3DO) | |||
| 7 | G, H, I (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 8 | J (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 9 | K (A) | water | water | 18.0 | 830 | Chemie (HOH) |
Sequence modifications
A: 1 - 605 (UniProt: Q9XEI3)
| PDB | External Database | Details |
|---|---|---|
| Lys 320 | Asn 345 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 65475.6 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 2549.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 716.7 | |
| All* | Total formula weight | 68741.6 |
