9ELE
Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 RBD in complex with human ACE2 (local refinement of RBD and hACE2)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Processed angiotensin-converting enzyme 2 | polymer | 603 | 69982.6 | 1 | UniProt (Q9BYF1) Pfam (PF01401) | Homo sapiens (human) | |
| 2 | B (B) | Spike protein S1 | polymer | 209 | 23773.9 | 1 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 | |
| 3 | C, D, F (C, D, F) | 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 | E (E) | 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 | G, H, I, J (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) |
Sequence modifications
A: 19 - 615 (UniProt: Q9BYF1)
B: 318 - 527 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| His 616 | - | expression tag |
| His 617 | - | expression tag |
| His 618 | - | expression tag |
| His 619 | - | expression tag |
| His 620 | - | expression tag |
| His 621 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Val 332 | Ile 332 | conflict |
| His 339 | Gly 339 | variant |
| Thr 356 | Lys 356 | conflict |
| Phe 371 | Ser 371 | variant |
| Pro 373 | Ser 373 | variant |
| Phe 375 | Ser 375 | variant |
| Ala 376 | Thr 376 | variant |
| Lys 403 | Arg 403 | conflict |
| Asn 405 | Asp 405 | variant |
| Ser 408 | Arg 408 | variant |
| Asn 417 | Lys 417 | variant |
| Lys 440 | Asn 440 | variant |
| His 445 | Val 445 | conflict |
| Ser 446 | Gly 446 | variant |
| Asp 450 | Asn 450 | conflict |
| Trp 452 | Leu 452 | conflict |
| Ser 455 | Leu 455 | conflict |
| Leu 456 | Phe 456 | variant |
| Lys 460 | Asn 460 | variant |
| Asn 477 | Ser 477 | variant |
| Lys 478 | Thr 478 | variant |
| Lys 481 | Asn 481 | conflict |
| - | Val 483 | deletion |
| Lys 484 | Glu 484 | variant |
| Pro 486 | Phe 486 | variant |
| Glu 493 | Gln 493 | conflict |
| 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 | 2 |
| Total formula weight | 93756.4 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1859.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 884.8 | |
| All* | Total formula weight | 96501.0 |
