Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T07485 | Target Info | |||
| Target Name | Respiratory syncytial virus protein F (RSV F) | ||||
| Synonyms | Protein F; Fusion glycoprotein F1; Fusion glycoprotein F0; F | ||||
| Target Type | Successful Target | ||||
| Gene Name | RSV F | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: TMC-353121 | Ligand Info | |||||
| Structure Description | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | PDB:3KPE | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
HLEGEVNKIK 168 SALLSTNKAV178 VSLSNGVSVL188 TSKVLDLKNY198 IDKQLLPIV> Chain B FPSDEFDASI 492 SQVNEKINQS502 LAFIRKSDEL512 LHNVN
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: BMS-433771 | Ligand Info | |||||
| Structure Description | Crystal Structure of Inhibitor BMS-433771 in Complex with Prefusion RSV F Glycoprotein | PDB:5EA7 | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
NITEEFYQST
36 CSAVSKGYLS46 ALRTGWYTSV56 ITIELSNIAK75 VKLIKQELDK85 YKNAVTELQL 95 LMQFLGFLLG143 VGSAIASGVA153 VCKVLHLEGE163 VNKIKSALLS173 TNKAVVSLSN 183 GVSVLTFKVL193 DLKNYIDKQL203 LPILNSISNI217 ETVIEFQQKN227 NRLLEITREF 237 SVNAGVTTPV247 STYMLTNSEL257 LSLINDMPIT267 NDQKKLMSNN277 VQIVRQQSYS 287 IMCIIKEEVL297 AYVVQLPLYG307 VIDTPCWKLH317 TSPLCTTNTK327 EGSNICLTRT 337 DRGWYCDNAG347 SVSFFPQAET357 CKVQSNRVFC367 DTMNSLTLPS377 EVNLCNVDIF 387 NPKYDCKIMT397 SKTDVSSSVI407 TSLGAIVSCY417 GKTKCTASNK427 NRGIIKTFSN 437 GCDYVSNKGV447 DTVSVGNTLY457 YVNKQEGKSL467 YVKGEPIINF477 YDPLVFPSDE 487 FDASISQVNE497 KINQSLAFIR507 KSDEL
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| Ligand Name: 3-[[5-Bromanyl-1-(3-Methylsulfonylpropyl)benzimidazol-2-Yl]methyl]-1-Cyclopropyl-Imidazo[4,5-C]pyridin-2-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Inhibitor JNJ-49153390 in Complex with Prefusion RSV F Glycoprotein | PDB:5EA4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
QNITEEFYQS
35 TCSAVSKGYL45 SALRTGWYTS55 VITIELSNIK65 GTDAKVKLIK80 QELDKYKNAV 90 TELQLLMQST100 PATFLGFLLG143 VGSAIASGVA153 VCKVLHLEGE163 VNKIKSALLS 173 TNKAVVSLSN183 GVSVLTFKVL193 DLKNYIDKQL203 LPILNKQSCS213 ISNIETVIEF 223 QQKNNRLLEI233 TREFSVNAGV243 TTPVSTYMLT253 NSELLSLIND263 MPITNDQKKL 273 MSNNVQIVRQ283 QSYSIMCIIK293 EEVLAYVVQL303 PLYGVIDTPC313 WKLHTSPLCT 323 TNTKEGSNIC333 LTRTDRGWYC343 DNAGSVSFFP353 QAETCKVQSN363 RVFCDTMNSL 373 TLPSEVNLCN383 VDIFNPKYDC393 KIMTSKTDVS403 SSVITSLGAI413 VSCYGKTKCT 423 ASNKNRGIIK433 TFSNGCDYVS443 NKGVDTVSVG453 NTLYYVNKQE463 GKSLYVKGEP 473 IINFYDPLVF483 PSDEFDASIS493 QVNEKINQSL503 AFI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5NM or .5NM2 or .5NM3 or :35NM;style chemicals stick;color identity;select .F:137 or .F:140 or .F:396 or .F:397 or .F:398 or .F:486 or .F:487 or .F:488 or .F:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[[2-[[1-(2-Azanylethyl)piperidin-4-Yl]amino]-4-Methyl-Benzimidazol-1-Yl]methyl]-6-Methyl-Pyridin-3-Ol | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT T400A STABILIZED IN THE PREFUSION STATE | PDB:6EAK | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
NITEEFYQST
36 CSAVSKGYLS46 ALRTGWYTSV56 ITIELSNIGT72 DAKVKLIKQE82 LDKYKNAVTE 92 LQLLMQSTPA102 TNNRAFLGFL141 LGVGSAIASG151 VAVCKVLHLE161 GEVNKIKSAL 171 LSTNKAVVSL181 SNGVSVLTFK191 VLDLKNYIDK201 QLLPIISNIE218 TVIEFQQKNN 228 RLLEITREFS238 VNAGVTTPVS248 TYMLTNSELL258 SLINDMPITN268 DQKKLMSNNV 278 QIVRQQSYSI288 MCIIKEEVLA298 YVVQLPLYGV308 IDTPCWKLHT318 SPLCTTNTKE 328 GSNICLTRTD338 RGWYCDNAGS348 VSFFPQAETC358 KVQSNRVFCD368 TMNSLTLPSE 378 VNLCNVDIFN388 PKYDCKIMTS398 KADVSSSVIT408 SLGAIVSCYG418 KTKCTASNKN 428 RGIIKTFSNG438 CDYVSNKGVD448 TVSVGNTLYY458 VNKQEGKSLY468 VKGEPIINFY 478 DPLVFPSDEF488 DASISQVNEK498 INQSLAFI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5NK or .5NK2 or .5NK3 or :35NK;style chemicals stick;color identity;select .F:137 or .F:140 or .F:396 or .F:486 or .F:487 or .F:488 or .F:489 or .F:498; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (9~{b}~{r})-9~{b}-(4-Chlorophenyl)-1-Pyridin-3-Ylcarbonyl-2,3-Dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | PDB:5EA6 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
NITEEFYQST
36 CSAVSKGYLS46 ALRTGWYTSV56 ITIELSNIKA74 KVKLIKQELD84 KYKNAVTELQ 94 LLMQFLGFLL142 GVGSAIASGV152 AVCKVLHLEG162 EVNKIKSALL172 STNKAVVSLS 182 NGVSVLTFKV192 LDLKNYIDKQ202 LLIETVIEFQ224 QKNNRLLEIT234 REFSVNAGVT 244 TPVSTYMLTN254 SELLSLINDM264 PITNDQKKLM274 SNNVQIVRQQ284 SYSIMCIIKE 294 EVLAYVVQLP304 LYGVIDTPCW314 KLHTSPLCTT324 NTKEGSNICL334 TRTDRGWYCD 344 NAGSVSFFPQ354 AETCKVQSNR364 VFCDTMNSLT374 LPSEVNLCNV384 DIFNPKYDCK 394 IMTSKTDVSS404 SVITSLGAIV414 SCYGKTKCTA424 SNKNRGIIKT434 FSNGCDYVSN 444 KGVDTVSVGN454 TLYYVNKQEG464 KSLYVKGEPI474 INFYDPLVFP484 SDEFDASISQ 494 VNEKINQSLA504 FI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5NP or .5NP2 or .5NP3 or :35NP;style chemicals stick;color identity;select .F:137 or .F:140 or .F:396 or .F:488 or .F:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein. Proc Natl Acad Sci U S A. 2010 Jan 5;107(1):308-13. | ||||
| REF 2 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat Chem Biol. 2016 Feb;12(2):87-93. | ||||
| REF 3 | CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT T400A STABILIZED IN THE PREFUSION STATE | ||||
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