9DGO
Designed miniproteins potently inhibit and protect against MERS-CoV. Crystal structure of MERS-CoV S RBD in complex with miniprotein cb3
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) | Spike glycoprotein | polymer | 258 | 28045.9 | 2 | UniProt (A0A0U2GPS7) | Middle East respiratory syndrome-related coronavirus | S glycoprotein,E2,Peplomer protein |
| 2 | C, D (C, D) | Designed miniprotein cb_3 | polymer | 58 | 7037.7 | 2 | synthetic construct | ||
| 3 | E (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | 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 | G, H (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 6 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 306 | Chemie (HOH) |
Sequence modifications
A, B: 382 - 588 (UniProt: A0A0U2GPS7)
| PDB | External Database | Details |
|---|---|---|
| Met 350 | - | initiating methionine |
| Gly 351 | - | expression tag |
| Ile 352 | - | expression tag |
| Leu 353 | - | expression tag |
| Pro 354 | - | expression tag |
| Ser 355 | - | expression tag |
| Pro 356 | - | expression tag |
| Gly 357 | - | expression tag |
| Met 358 | - | expression tag |
| Pro 359 | - | expression tag |
| Ala 360 | - | expression tag |
| Leu 361 | - | expression tag |
| Leu 362 | - | expression tag |
| Ser 363 | - | expression tag |
| Leu 364 | - | expression tag |
| Val 365 | - | expression tag |
| Ser 366 | - | expression tag |
| Leu 367 | - | expression tag |
| Leu 368 | - | expression tag |
| Ser 369 | - | expression tag |
| Val 370 | - | expression tag |
| Leu 371 | - | expression tag |
| Leu 372 | - | expression tag |
| Met 373 | - | expression tag |
| Gly 374 | - | expression tag |
| Cys 375 | - | expression tag |
| Val 376 | - | expression tag |
| Ala 377 | - | expression tag |
| Glu 378 | - | expression tag |
| Thr 379 | - | expression tag |
| Gly 380 | - | expression tag |
| Thr 381 | - | expression tag |
| Gly 589 | - | expression tag |
| Ser 590 | - | expression tag |
| Leu 591 | - | expression tag |
| Val 592 | - | expression tag |
| Pro 593 | - | expression tag |
| Arg 594 | - | expression tag |
| Gly 595 | - | expression tag |
| Ser 596 | - | expression tag |
| Gly 597 | - | expression tag |
| Gly 598 | - | expression tag |
| Ser 599 | - | expression tag |
| His 600 | - | expression tag |
| His 601 | - | expression tag |
| His 602 | - | expression tag |
| His 603 | - | expression tag |
| His 604 | - | expression tag |
| His 605 | - | expression tag |
| His 606 | - | expression tag |
| His 607 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70167.2 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 442.4 | |
| All* | Total formula weight | 71620.6 |
