8FXC
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | S309 Light chain | polymer | 214 | 23204.7 | 1 | Homo sapiens | ||
| 2 | B (H) | S309 Heavy chain | polymer | 457 | 50163.3 | 1 | Homo sapiens | ||
| 3 | C (A) | Processed angiotensin-converting enzyme 2 | polymer | 648 | 74492.4 | 1 | UniProt (Q9BYF1) Pfam (PF01401) | Homo sapiens (human) | |
| 4 | D (E) | Spike protein S1 | polymer | 249 | 28196.9 | 1 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 | |
| 5 | E (B) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 6 | F, G, H, I, J (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 7 | K (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) |
Sequence modifications
A: 19 - 615 (UniProt: Q9BYF1)
E: 328 - 528 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| Leu 616 | - | expression tag |
| Val 617 | - | expression tag |
| Pro 618 | - | expression tag |
| Arg 619 | - | expression tag |
| Gly 620 | - | expression tag |
| Ser 621 | - | expression tag |
| Ser 622 | - | expression tag |
| Ala 623 | - | expression tag |
| Trp 624 | - | expression tag |
| Ser 625 | - | expression tag |
| His 626 | - | expression tag |
| Pro 627 | - | expression tag |
| Gln 628 | - | expression tag |
| Phe 629 | - | expression tag |
| Glu 630 | - | expression tag |
| Lys 631 | - | expression tag |
| Gly 632 | - | expression tag |
| Gly 633 | - | expression tag |
| Gly 634 | - | expression tag |
| Ser 635 | - | expression tag |
| Gly 636 | - | expression tag |
| Gly 637 | - | expression tag |
| Gly 638 | - | expression tag |
| Ser 639 | - | expression tag |
| Gly 640 | - | expression tag |
| Gly 641 | - | expression tag |
| Ser 642 | - | expression tag |
| Ala 643 | - | expression tag |
| Trp 644 | - | expression tag |
| Ser 645 | - | expression tag |
| His 646 | - | expression tag |
| Pro 647 | - | expression tag |
| Gln 648 | - | expression tag |
| Phe 649 | - | expression tag |
| Glu 650 | - | expression tag |
| Lys 651 | - | expression tag |
| Gly 652 | - | expression tag |
| Ser 653 | - | expression tag |
| His 654 | - | expression tag |
| His 655 | - | expression tag |
| His 656 | - | expression tag |
| His 657 | - | expression tag |
| His 658 | - | expression tag |
| His 659 | - | expression tag |
| His 660 | - | expression tag |
| His 661 | - | expression tag |
| His 662 | - | expression tag |
| His 663 | - | expression tag |
| Gly 664 | - | expression tag |
| Gly 665 | - | expression tag |
| Gly 666 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 310 | - | initiating methionine |
| Ala 311 | - | expression tag |
| Arg 312 | - | expression tag |
| Ala 313 | - | expression tag |
| Trp 314 | - | expression tag |
| Ile 315 | - | expression tag |
| Phe 316 | - | expression tag |
| Phe 317 | - | expression tag |
| Leu 318 | - | expression tag |
| Leu 319 | - | expression tag |
| Cys 320 | - | expression tag |
| Leu 321 | - | expression tag |
| Ala 322 | - | expression tag |
| Gly 323 | - | expression tag |
| Arg 324 | - | expression tag |
| Ala 325 | - | expression tag |
| Leu 326 | - | expression tag |
| Ala 327 | - | expression tag |
| Asp 339 | Gly 339 | conflict |
| Thr 346 | Arg 346 | conflict |
| Phe 371 | Ser 371 | conflict |
| Pro 373 | Ser 373 | conflict |
| Phe 375 | Ser 375 | conflict |
| Ala 376 | Thr 376 | conflict |
| Asn 405 | Asp 405 | conflict |
| Ser 408 | Arg 408 | conflict |
| Asn 417 | Lys 417 | conflict |
| Lys 440 | Asn 440 | conflict |
| Thr 444 | Lys 444 | conflict |
| Arg 452 | Leu 452 | conflict |
| Lys 460 | Asn 460 | conflict |
| Asn 477 | Ser 477 | conflict |
| Lys 478 | Thr 478 | conflict |
| Ala 484 | Glu 484 | conflict |
| Val 486 | Phe 486 | conflict |
| Arg 498 | Gln 498 | conflict |
| Tyr 501 | Asn 501 | conflict |
| His 505 | Tyr 505 | conflict |
| Lys 529 | - | expression tag |
| Ser 530 | - | expression tag |
| Thr 531 | - | expression tag |
| Gly 532 | - | expression tag |
| Gly 533 | - | expression tag |
| Leu 534 | - | expression tag |
| Asn 535 | - | expression tag |
| Asp 536 | - | expression tag |
| Ile 537 | - | expression tag |
| Phe 538 | - | expression tag |
| Glu 539 | - | expression tag |
| Ala 540 | - | expression tag |
| Gln 541 | - | expression tag |
| Lys 542 | - | expression tag |
| Ile 543 | - | expression tag |
| Glu 544 | - | expression tag |
| Trp 545 | - | expression tag |
| His 546 | - | expression tag |
| Glu 547 | - | expression tag |
| Gly 548 | - | expression tag |
| Ser 549 | - | expression tag |
| Gly 550 | - | expression tag |
| His 551 | - | expression tag |
| His 552 | - | expression tag |
| His 553 | - | expression tag |
| His 554 | - | expression tag |
| His 555 | - | expression tag |
| His 556 | - | expression tag |
| His 557 | - | expression tag |
| His 558 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 176057.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 367.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1171.4 | |
| All* | Total formula weight | 177596.1 |
