8WDR
Crystal structure of BQ.1.1 RBD complexed with human ACE2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Angiotensin-converting enzyme 2 | polymer | 805 | 92556.7 | 2 | UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959) | Homo sapiens (human) | |
| 2 | B, D (B, D) | Spike protein S1 | polymer | 247 | 27886.8 | 2 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 | |
| 3 | E, G, H (E, G, H) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 4 | F (F) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 5 | I, N (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | J, K, L, M, O... (A, B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 7 | Chemie (NAG) |
Sequence modifications
B, D: 319 - 541 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| Met 301 | - | initiating methionine |
| His 302 | - | expression tag |
| Ser 303 | - | expression tag |
| Ser 304 | - | expression tag |
| Ala 305 | - | expression tag |
| Leu 306 | - | expression tag |
| Leu 307 | - | expression tag |
| Cys 308 | - | expression tag |
| Cys 309 | - | expression tag |
| Leu 310 | - | expression tag |
| Val 311 | - | expression tag |
| Leu 312 | - | expression tag |
| Leu 313 | - | expression tag |
| Thr 314 | - | expression tag |
| Gly 315 | - | expression tag |
| Val 316 | - | expression tag |
| Arg 317 | - | expression tag |
| Ala 318 | - | expression tag |
| Asp 339 | Gly 339 | variant |
| Thr 346 | Arg 346 | 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 |
| Thr 444 | Lys 444 | variant |
| Arg 452 | Leu 452 | variant |
| Lys 460 | Asn 460 | variant |
| Asn 477 | Ser 477 | variant |
| Lys 478 | Thr 478 | variant |
| Ala 484 | Glu 484 | variant |
| Val 486 | Phe 486 | variant |
| Arg 498 | Gln 498 | variant |
| Tyr 501 | Asn 501 | variant |
| His 505 | Tyr 505 | variant |
| His 542 | - | expression tag |
| His 543 | - | expression tag |
| His 544 | - | expression tag |
| His 545 | - | expression tag |
| His 546 | - | expression tag |
| His 547 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 240887.0 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1859.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1679.3 | |
| All* | Total formula weight | 244426.0 |
