9L3Q
Cryo-EM structure of SARS-CoV-2 PT Spike Protein complex with a potent broad-spectrum macrocyclic peptide inhibitor 6L3-3P11K
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Spike glycoprotein | polymer | 1195 | 132334.5 | 3 | UniProt (P0DTC2) | Severe acute respiratory syndrome coronavirus 2 | S glycoprotein,E2,Peplomer protein |
| 2 | D, E, F (T, U, V) | TYR-ASP-PRO-28J-LEU-THR-PRO-LEU-GLY-PHE-LYS-CCS-GLY-NH2 | polymer | 14 | 1480.7 | 3 | synthetic construct | ||
| 3 | G, H, I, J, K... (D, E, F, G, H...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 15 | In PDB GlyTouCan (G42666HT) | |||
| 4 | AA, BA, CA, DA, EA... (A, B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 22 | Chemie (NAG) |
Sequence modifications
A, B, C: 14 - 1208 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| Gly 682 | Arg 682 | conflict |
| Ser 683 | Arg 683 | conflict |
| Ser 685 | Arg 685 | conflict |
| Pro 817 | Phe 817 | conflict |
| Pro 892 | Ala 892 | conflict |
| Pro 899 | Ala 899 | conflict |
| Pro 942 | Ala 942 | conflict |
| Pro 986 | Lys 986 | variant |
| Pro 987 | Val 987 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 401445.6 | |
| Branched | Number of molecules | 15 |
| Total formula weight | 6366.0 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 4866.6 | |
| All* | Total formula weight | 412678.2 |
