9LF4
Complex structure of THC-2027 and THC-4555 Fab bound to SARS-CoV-2 XBB.1.5 RBD
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (C) | Spike protein S1 | polymer | 194 | 21809.6 | 1 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | |
| 2 | B (A) | THC-4555 Heavy chain | polymer | 228 | 24758.9 | 1 | Homo sapiens (human) | ||
| 3 | C (B) | THC-4555 Light chain | polymer | 216 | 22555.8 | 1 | Homo sapiens (human) | ||
| 4 | D (D) | THC-2027 Heavy chain | polymer | 223 | 23771.6 | 1 | Homo sapiens (human) | ||
| 5 | E (E) | THC-2027 Light chain | polymer | 216 | 23536.1 | 1 | Homo sapiens (human) | ||
| 6 | F (C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) PubChem (24139) | |||
| 7 | G, H, I (C, A, E) | water | water | 18.0 | 6 | Chemie (HOH) |
Sequence modifications
C: 334 - 527 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| His 339 | Gly 339 | variant |
| Thr 346 | Arg 346 | variant |
| Ile 368 | Leu 368 | variant |
| Phe 371 | Ser 371 | variant |
| Pro 373 | Ser 373 | variant |
| Phe 375 | Ser 375 | variant |
| Ala 376 | Thr 376 | variant |
| Asn 405 | Asp 405 | variant |
| Ser 408 | Arg 408 | variant |
| Asn 417 | Lys 417 | variant |
| Lys 440 | Asn 440 | variant |
| Pro 445 | Val 445 | variant |
| Ser 446 | Gly 446 | variant |
| Lys 460 | Asn 460 | variant |
| Asn 477 | Ser 477 | variant |
| Lys 478 | Thr 478 | variant |
| Ala 484 | Glu 484 | variant |
| Pro 486 | Phe 486 | variant |
| Ser 490 | Phe 490 | variant |
| Arg 498 | Gln 498 | variant |
| Tyr 501 | Asn 501 | variant |
| His 505 | Tyr 505 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 116432.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 221.2 | |
| All* | Total formula weight | 116653.3 |
