9O5V
Crystal structure of chimeric BANAL-52 RBD complexed with chimeric Rhinolophus sinicus ACE2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | ACE2 | polymer | 603 | 69885.5 | 2 | Rhinolophus sinicus (Chinese rufous horseshoe bat) | ||
| 2 | C, D (E, F) | Spike protein S1 | polymer | 232 | 26164.4 | 2 | UniProt (P0DTC2) Pfam (PF09408) | Severe acute respiratory syndrome coronavirus 2 | |
| 3 | E, F, H (C, D, 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 | G (G) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 5 | I, L (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | J (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | K, Q, R, U (A, B, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 8 | M, T (B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 9 | N, O, P, S (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 10 | V, W, X (A, B, F) | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
E, F: 319 - 536 (UniProt: P0DTC2)
| PDB | External Database | Details |
|---|---|---|
| Val 321 | Gln 321 | conflict |
| Ser 323 | Thr 323 | conflict |
| Gly 324 | Glu 324 | conflict |
| Asp 325 | Ser 325 | conflict |
| Val 326 | Ile 326 | conflict |
| Lys 346 | Arg 346 | variant |
| Pro 348 | Ala 348 | conflict |
| Glu 354 | Asn 354 | conflict |
| Lys 357 | Arg 357 | conflict |
| Thr 372 | Ala 372 | conflict |
| Phe 373 | Ser 373 | conflict |
| Ala 384 | Pro 384 | conflict |
| Ser 393 | Thr 393 | conflict |
| Val 402 | Ile 402 | conflict |
| Lys 403 | Arg 403 | conflict |
| Asp 406 | Glu 406 | conflict |
| Val 417 | Lys 417 | conflict |
| Met 430 | Thr 430 | conflict |
| Leu 434 | Ile 434 | conflict |
| Thr 438 | Ser 438 | conflict |
| Arg 439 | Asn 439 | conflict |
| Ile 441 | Leu 441 | conflict |
| Ala 443 | Ser 443 | conflict |
| Thr 444 | Lys 444 | variant |
| Ser 445 | Val 445 | conflict |
| Thr 446 | Gly 446 | conflict |
| Lys 452 | Leu 452 | conflict |
| His 498 | Gln 498 | conflict |
| Asn 519 | His 519 | conflict |
| Leu 529 | Lys 529 | conflict |
| Asp 532 | Asn 532 | conflict |
| Ile 534 | Val 534 | conflict |
| Ser 536 | Asn 536 | conflict |
| Gly 537 | - | expression tag |
| Glu 538 | - | expression tag |
| Asn 539 | - | expression tag |
| Leu 540 | - | expression tag |
| Tyr 541 | - | expression tag |
| Phe 542 | - | expression tag |
| Gln 543 | - | expression tag |
| Gly 544 | - | expression tag |
| His 545 | - | expression tag |
| His 546 | - | expression tag |
| His 547 | - | expression tag |
| His 548 | - | expression tag |
| His 549 | - | expression tag |
| His 550 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 192099.8 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2184.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1357.8 | |
| All* | Total formula weight | 195641.6 |
