8F4S
Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 2'-O-methyltransferase | polymer | 301 | 33627.5 | 1 | UniProt (P0DTD1) Pfam (PF06460) | Severe acute respiratory syndrome coronavirus 2 | Non-structural protein 16, nsp16 |
| 2 | B (B) | Non-structural protein 10 | polymer | 142 | 15075.2 | 1 | UniProt (P0DTD1) Pfam (PF09401) | Severe acute respiratory syndrome coronavirus 2 | nsp10, Growth factor-like peptide, GFL |
| 3 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | D (A) | 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol | non-polymer | 335.1 | 1 | Chemie (XDU) | |||
| 5 | E, F, G, H, I (A) | FORMIC ACID | non-polymer | 46.0 | 5 | Chemie (FMT) | |||
| 6 | J, K (B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 207 | Chemie (HOH) |
Sequence modifications
A: 6799 - 7096 (UniProt: P0DTD1)
B: 4254 - 4392 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser 6796 | - | expression tag |
| Asn 6797 | - | expression tag |
| Ala 6798 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ser 4251 | - | expression tag |
| Asn 4252 | - | expression tag |
| Ala 4253 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 48702.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 719.0 | |
| All* | Total formula weight | 49421.7 |
