4C4D
Covalent glycosyl-enzyme intermediate of Hypocrea jecorina Cel7a E217Q mutant trapped using DNP-2-deoxy-2-fluoro-cellotrioside
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | CELLULOSE 1,4-BETA-CELLOBIOSIDASE | polymer | 434 | 46067.8 | 1 | UniProt (P62694) Pfam (PF00840) In PDB | TRICHODERMA REESEI | |
| 2 | B | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO) | beta-cellobiose | ||
| 3 | C | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | branched | 992.9 | 1 | In PDB GlyTouCan (G22032HG) | |||
| 4 | A | COBALT (II) ION | non-polymer | 58.9 | 3 | Chemie (CO) | |||
| 5 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 6 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | water | water | 18.0 | 618 | Chemie (HOH) |
Sequence modifications
A: 1 - 434 (UniProt: P62694)
| PDB | External Database | Details |
|---|---|---|
| Asp 94 | Gly 111 | cloning artifact |
| Gln 217 | Glu 234 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46067.8 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1335.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 725.3 | |
| All* | Total formula weight | 48128.2 |
