GI targeted CpPI4K inhibitor. Determined by X-ray diffraction at 3.0 Å resolution. Released 4 Sept 2024.
Explore 8VOF in 3D Show helices and sheets RCSB PDB PDBe
8VOF contains 30 α-helices and 17 β-strands across 2 chains. 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 |
|---|---|---|---|
| α-helix | 128-135 | 8 | |
| α-helix | 141-150 | 10 | |
| α-helix | 154-163 | 10 | |
| α-helix | 169-173 | 5 | |
| α-helix | 176-185 | 10 | |
| α-helix | 188-204 | 17 | |
| α-helix | 206-219 | 14 | |
| α-helix | 231-242 | 12 | |
| α-helix | 308-323 | 16 | |
| α-helix | 330-341 | 12 | |
| α-helix | 344-347 | 4 | |
| β-strand | 361-365 | 5 | 1 |
| β-strand | 372-373 | 2 | 1 |
| β-strand | 382-390 | 9 | 1 |
| α-helix | 398-402 | 5 | |
| α-helix | 522-532 | 11 | |
| β-strand | 541-549 | 9 | 1 |
| α-helix | 555-573 | 19 | |
| α-helix | 582-584 | 3 | |
| β-strand | 585-589 | 5 | 1 |
| β-strand | 592-596 | 5 | 1 |
| β-strand | 601-603 | 3 | 2 |
| α-helix | 604-611 | 8 | |
| α-helix | 615-622 | 8 | |
| α-helix | 629-652 | 24 | |
| β-strand | 662-665 | 4 | 2 |
| β-strand | 670-672 | 3 | 2 |
| α-helix | 697-702 | 6 | |
| α-helix | 709-726 | 18 | |
| α-helix | 729-739 | 11 | |
| α-helix | 753-759 | 7 | |
| α-helix | 767-780 | 14 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 10-17 | 8 | 3 |
| α-helix | 24-32 | 9 | |
| α-helix | 41-43 | 3 | |
| β-strand | 46-55 | 10 | 3 |
| β-strand | 58-67 | 10 | 3 |
| α-helix | 74-81 | 8 | |
| β-strand | 86-92 | 7 | 3 |
| α-helix | 97-100 | 4 | |
| α-helix | 102-112 | 11 | |
| β-strand | 118-124 | 7 | 3 |
| α-helix | 136-146 | 11 | |
| β-strand | 149-152 | 4 | 3 |
| β-strand | 154 | 1 | 4 |
| β-strand | 159 | 1 | 4 |
| α-helix | 161-174 | 14 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Isoform 2 of Phosphatidylinositol 4-kinase beta,Isoform 2 of Phosphatidylinositol 4-kinase… | A | protein | 529 | Homo sapiens | Q9UBF8 (AlphaFold model) |
| Ras-related protein Rab-11A | B | protein | 216 | Homo sapiens | P62491 (AlphaFold model) |
>8VOF_1 Isoform 2 of Phosphatidylinositol 4-kinase beta,Isoform 2 of Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta (chains A) GSHMQNNSAKQSWLLRLFESKLFDISMAISYLYNSKEPGVQAYIGNRLFCFRNEDVDFYL PQLLNMYIHMDEDVGDAIKPYIVHRCRQSINFSLQCALLLGAYSSDMHISTQRHSRGTKL RKLILSDELKPANLKRTAANPKVENEDEPVRLAPEREFIKSLMAIGKRLATLPTKEQKTQ RLISELSLLNHKLPARVWLPTAGFDHHVVRVPHTQAVVYNSKDKAPYLIYVEVLECENFD TTSVPARIPENRRDPEDPSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLR QELLAFQVLKQLQSIWEQERVPLWIKPYKILVISADSGMIEYVVNAVSIHQVKKQSQLSL LDYFLQEHGSYTTEAFLSAQRNFVQSCAGYCLVCYLLQVKDRHNGNILLDAEGHIIHIDF GFILSSSPRNLGFETSAFKLTTEFVDVMGGLDGDMFNYYKMLMLQGLIAARKHMDKVVQI VEIMQQGSQLPCFHGSSTIRNLKERFHMSMTEEQLQLLVEQMVDGSMRS
>8VOF_2 Ras-related protein Rab-11A (chains B) MGTRDDEYDYLFKVVLIGDSGVGKSNLLSRFTRNEFNLESKSTIGVEFATRSIQVDGKTI KAQIWDTAGLERYRAITSAYYRGAVGALLVYDIAKHLTYENVERWLKELRDHADSNIVIM LVGNKSDLRHLRAVPTDEARAFAEKNGLSFIETSALDSTNVEAAFQTILTEIYRIVSQKQ MSDRRENDMSPSNNVVPIHVPPTTENKPKVQCCQNI
| ID | Name | Formula | Copies |
|---|---|---|---|
| GDP | Guanosine-5'-diphosphate | C10 H15 N5 O11 P2 | 1 |
| A1ADE | methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyri… | C25 H21 Cl N4 O4 | 1 |
Water and common crystallization additives (SO4) are not listed.
Cryptosporidium PI(4)K inhibitor EDI048 is a gut-restricted parasiticidal agent to treat paediatric enteric cryptosporidiosis. Manjunatha, U.H., Lakshminarayana, S.B., Jumani, R.S. et al. Nat Microbiol (2024) 9:2817-2835. DOI 10.1038/s41564-024-01810-x · PubMed
Other PDB entries of the same protein (UniProt Q9UBF8 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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