Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein. Determined by X-ray diffraction at 2.5 Å resolution. Released 2 Aug 2017.
Explore 5KWW in 3D Show helices and sheets RCSB PDB PDBe
5KWW contains 17 α-helices and 26 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 29-33 | 5 | 1 |
| β-strand | 38-49 | 12 | 1 |
| β-strand | 51-60 | 10 | 2 |
| α-helix | 75-96 | 22 | |
| α-helix | 138-141 | 4 | |
| α-helix | 149-158 | 10 | |
| α-helix | 163-170 | 8 | |
| β-strand | 176-180 | 5 | 2 |
| β-strand | 186-194 | 9 | 2 |
| α-helix | 195-202 | 8 | |
| α-helix | 218-239 | 22 | |
| β-strand | 243-244 | 2 | 2 |
| α-helix | 247-248 | 2 | |
| α-helix | 254-262 | 9 | |
| α-helix | 268-275 | 8 | |
| α-helix | 278-283 | 6 | |
| β-strand | 286-292 | 7 | 2 |
| β-strand | 296-305 | 10 | 2 |
| β-strand | 308-318 | 11 | 1 |
| β-strand | 321-322 | 2 | 3 |
| β-strand | 333-336 | 4 | 3 |
| β-strand | 340-345 | 6 | 1 |
| β-strand | 348-352 | 5 | 1 |
| α-helix | 355-357 | 3 | |
| β-strand | 359-361 | 3 | 1 |
| β-strand | 364-368 | 5 | 1 |
| α-helix | 369-371 | 3 | |
| β-strand | 373-375 | 3 | 1 |
| α-helix | 377-380 | 4 | |
| α-helix | 381-384 | 4 | |
| β-strand | 394-398 | 5 | 3 |
| β-strand | 404-407 | 4 | 4 |
| β-strand | 411-416 | 6 | 4 |
| β-strand | 422-426 | 5 | 5 |
| β-strand | 430-434 | 5 | 5 |
| β-strand | 438-443 | 6 | 4 |
| β-strand | 449-452 | 4 | 5 |
| β-strand | 455-458 | 4 | 5 |
| α-helix | 459-460 | 2 | |
| β-strand | 465-469 | 5 | 1 |
| α-helix | 474-477 | 4 | |
| β-strand | 487-491 | 5 | 3 |
| α-helix | 492-503 | 12 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Fusion glycoprotein F0, Envelope glycoprotein chimera | F | protein | 568 | Human respiratory syncytial virus, Human immunodeficiency virus 1 | M1E1E4 (AlphaFold model), P03420 |
>5KWW_1 Fusion glycoprotein F0, Envelope glycoprotein chimera (chains F) MELLILKANAITTILTAVTFCFASGQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIE LSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPATNNRARRELPRFMNYTLN NAKKTNVTLSKKRKRRFLGFLLGVGSAIASGVAVCKVLHLEGEVNKIKSALLSTNKAVVS LSNGVSVLTFKVLDLKNYIDKQLLPILNKQSCSISNIETVIEFQQKNNRLLEITREFSVN AGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMCIIKEEVLAYV VQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKV QSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKT KCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDP LVFPSDEFDASISQVNEKINQSLAFIRKSDELLSAIGGYIPEAPRDGQAYVRKDGEWVLL STFLGGLVPRGSHHHHHHSAWSHPQFEK
| ID | Name | Formula | Copies |
|---|---|---|---|
| 6YA | 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluo… | C21 H20 Cl F3 N4 O3 S | 1 |
| NHE | 2-[N-cyclohexylamino]ethane sulfonic acid | C8 H17 N O3 S | 1 |
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 1 |
Water and common crystallization additives (SO4) are not listed.
Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Roymans, D., Alnajjar, S.S., Battles, M.B. et al. Nat Commun (2017) 8:167-167. DOI 10.1038/s41467-017-00170-x · PubMed
Other PDB entries of the same protein (UniProt M1E1E4 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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