6VKC
Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (F) | Prefusion RSV F (DS-Cav1),Envelope glycoprotein | polymer | 568 | 63218.3 | 1 | UniProt (Q84850) UniProt (M1E1E4) UniProt (by SIFTS) (P03420) | Human respiratory syncytial virus | |
| 2 | B (A) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 3 | C (F) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D, E, F, G, H... (F) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | J (F) | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | non-polymer | 450.8 | 1 | Chemie (R0J) | |||
| 6 | K (F) | D(-)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TAR) | |||
| 7 | L (F) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
F: 1 - 513 (UniProt: Q84850)
F: 518 - 545 (UniProt: M1E1E4)
| PDB | External Database | Details |
|---|---|---|
| Cys 155 | Ser 155 | conflict |
| Phe 190 | Ser 190 | conflict |
| Leu 207 | Val 207 | conflict |
| Cys 290 | Ser 290 | conflict |
| Tyr 342 | Phe 342 | conflict |
| Ser 514 | - | linker |
| Ala 515 | - | linker |
| Ile 516 | - | linker |
| Gly 517 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Gly 546 | - | expression tag |
| Leu 547 | - | expression tag |
| Val 548 | - | expression tag |
| Pro 549 | - | expression tag |
| Arg 550 | - | expression tag |
| Gly 551 | - | expression tag |
| Ser 552 | - | expression tag |
| His 553 | - | expression tag |
| His 554 | - | expression tag |
| His 555 | - | expression tag |
| His 556 | - | expression tag |
| His 557 | - | expression tag |
| His 558 | - | expression tag |
| Ser 559 | - | expression tag |
| Ala 560 | - | expression tag |
| Trp 561 | - | expression tag |
| Ser 562 | - | expression tag |
| His 563 | - | expression tag |
| Pro 564 | - | expression tag |
| Gln 565 | - | expression tag |
| Phe 566 | - | expression tag |
| Glu 567 | - | expression tag |
| Lys 568 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 63218.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 367.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1212.8 | |
| All* | Total formula weight | 64798.5 |
