3CL5
Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O-diacetyl sialic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Hemagglutinin-esterase | polymer | 377 | 42630.2 | 1 | UniProt (P15776) Pfam (PF03996) Pfam (PF02710) In PDB | Bovine coronavirus (strain Mebus) | HE protein, E3 glycoprotein |
| 2 | B | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 4 | A | methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | non-polymer | 407.4 | 1 | Chemie (SIO) | |||
| 5 | A | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 6 | A | ACETIC ACID | non-polymer | 60.1 | 1 | Chemie (ACY) | |||
| 7 | water | water | 18.0 | 281 | Chemie (HOH) |
Sequence modifications
A: 19 - 388 (UniProt: P15776)
| PDB | External Database | Details |
|---|---|---|
| Ala 40 | Ser 40 | engineered mutation |
| Ser 389 | - | expression tag |
| Asp 390 | - | expression tag |
| Pro 391 | - | expression tag |
| Leu 392 | - | expression tag |
| Val 393 | - | expression tag |
| Pro 394 | - | expression tag |
| Arg 395 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42630.2 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1612.6 | |
| All* | Total formula weight | 44667.2 |
