3WLN
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with octyl-S-glucoside
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)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 951.9 | 1 | In PDB GlyTouCan (G93227IM) | |||
| 4 | D (D) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | In PDB GlyTouCan (G18638YB) | |||
| 5 | E (A) | octyl 1-thio-beta-D-glucopyranoside | non-polymer | 308.4 | 1 | Chemie (SOG) PubChem (20765008) PubChem (22840433) PubChem (24802438) PubChem (24802439) PubChem (44120068) PubChem (46782626) PubChem (53720324) PubChem (53720325) PubChem (53720326) PubChem (53720327) PubChem (3035440) PubChem (363418) PubChem (446404) PubChem (656909) PubChem (89711063) PubChem (97944776) PubChem (92151891) PubChem (95858717) PubChem (95858718) PubChem (96327603) PubChem (96367497) PubChem (96367498) PubChem (98118655) PubChem (101682121) PubChem (102041106) PubChem (124524845) PubChem (171395924) | |||
| 6 | F (A) | water | water | 18.0 | 901 | 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 | 2271.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 308.4 | |
| All* | Total formula weight | 68055.1 |
