6VKE
Crystal Structure of Inhibitor JNJ-40012665 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 | F | Prefusion RSV F (DS-Cav1) | polymer | 568 | 63218.3 | 1 | UniProt (W8RJF9) UniProt (M1E1E4) Pfam (PF00523) Pfam (PF07921) UniProt (by SIFTS) (P03420) In PDB | Human respiratory syncytial virus | |
2 | F | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
3 | F | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile | non-polymer | 502.0 | 1 | Chemie (R0S) | |||
4 | F | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
5 | F | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
6 | water | water | 18.0 | 333 | Chemie (HOH) |
Sequence modifications
F: 1 - 513 (UniProt: W8RJF9)
F: 518 - 545 (UniProt: M1E1E4)
PDB | External Database | Details |
---|---|---|
Glu 66 | Lys 66 | conflict |
Cys 155 | Ser 155 | conflict |
Phe 190 | Ser 190 | conflict |
Leu 207 | Val 207 | conflict |
Cys 290 | Ser 290 | 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 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 1164.4 | |
All* | Total formula weight | 64382.8 |