8CX9
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
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, D (B, A, C, D) | Papain-like protease nsp3 | polymer | 320 | 36083.0 | 4 | UniProt (P0DTC1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | E, F, G, H, I... (E, I, F, G, K...) | Ubiquitin variant UbV.CV2.1 | polymer | 103 | 11702.3 | 8 | UniProt (P62987) Pfam (PF00240) | Homo sapiens (human) | CEP52,Ubiquitin A-52 residue ribosomal protein fusion product 1 |
| 3 | M, O, S, U (B, A, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | N, P, Q, V, X... (B, A, D, E, F) | BROMIDE ION | non-polymer | 79.9 | 6 | Chemie (BR) | |||
| 5 | R, T (A, C) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | W (D) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) |
Sequence modifications
B, A, C, D: 1 - 315 (UniProt: P0DTC1)
E, I, F, G, K, L, H, J: 1 - 78 (UniProt: P62987)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| His -24 | - | expression tag |
| His -23 | - | expression tag |
| His -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| Val -18 | - | expression tag |
| Thr -17 | - | expression tag |
| Ser -16 | - | expression tag |
| Leu -15 | - | expression tag |
| Tyr -14 | - | expression tag |
| Lys -13 | - | expression tag |
| Lys -12 | - | expression tag |
| Ala -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Thr -8 | - | expression tag |
| Asp -7 | - | expression tag |
| Tyr -6 | - | expression tag |
| Lys -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Asp -1 | - | expression tag |
| Lys 0 | - | expression tag |
| Ser 4 | Phe 4 | variant |
| Met 9 | Thr 9 | variant |
| Arg 10 | Gly 10 | variant |
| Arg 12 | Thr 12 | variant |
| Ser 46 | Ala 46 | variant |
| Met 48 | Lys 48 | variant |
| Leu 49 | Gln 49 | variant |
| Gly 64 | Glu 64 | variant |
| Thr 68 | His 68 | variant |
| Gly 70 | Val 70 | variant |
| Ile 72 | Arg 72 | variant |
| Ala 75 | Gly 75 | variant |
| Asn 76 | Gly 76 | variant |
| Gly 77 | - | insertion |
| Val 78 | Ile 77 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 237950.3 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 822.5 | |
| All* | Total formula weight | 238772.8 |
