9GWO
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 54571126
This is a non-PDB format compatible entry.
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 nsp16 | polymer | 304 | 34150.1 | 1 | UniProt (P0DTD1) Pfam (PF06460) | Severe acute respiratory syndrome coronavirus 2 | Non-structural protein 16,nsp16 |
| 2 | B (B) | Non-structural protein 10 | polymer | 140 | 14860.0 | 1 | UniProt (P0DTD1) Pfam (PF09401) | Severe acute respiratory syndrome coronavirus 2 | nsp10,Growth factor-like peptide,GFL |
| 3 | C (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) PubChem (4478249) | |||
| 4 | D, E, F, H, I... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 5 | G, S (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) PubChem (923) | |||
| 6 | K (A) | 7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione | non-polymer | 509.6 | 1 | Chemie (A1IQS) | |||
| 7 | P (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 8 | R (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) PubChem (58633578) PubChem (60038769) PubChem (73897310) PubChem (132988922) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (163046094) PubChem (58766358) PubChem (87224684) PubChem (131697735) PubChem (145712080) PubChem (5136) PubChem (34755) PubChem (9865603) PubChem (12312798) | |||
| 9 | U, V (B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 10 | X (B) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 11 | AA, Z (B, A) | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A: 6799 - 7096 (UniProt: P0DTD1)
B: 4253 - 4391 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Glu 7097 | - | expression tag |
| Asn 7098 | - | expression tag |
| Leu 7099 | - | expression tag |
| Tyr 7100 | - | expression tag |
| Phe 7101 | - | expression tag |
| Gln 7102 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 4252 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49010.1 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2296.2 | |
| All* | Total formula weight | 51306.3 |
