Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421. Determined by X-ray diffraction at 1.63 Å resolution. Released 14 Mar 2012.
Explore 4DV8 in 3D Show helices and sheets RCSB PDB PDBe
4DV8 contains 36 α-helices and 18 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 |
|---|---|---|---|
| α-helix | 267-277 | 11 | |
| α-helix | 279-284 | 6 | |
| α-helix | 287-297 | 11 | |
| α-helix | 299 | 1 | |
| β-strand | 300 | 1 | 1 |
| α-helix | 301-302 | 2 | |
| α-helix | 304-309 | 6 | |
| α-helix | 313-321 | 9 | |
| α-helix | 324-326 | 3 | |
| α-helix | 332-346 | 15 | |
| α-helix | 351-356 | 6 | |
| α-helix | 366-369 | 4 | |
| α-helix | 370-379 | 10 | |
| α-helix | 380-382 | 3 | |
| β-strand | 386 | 1 | 1 |
| α-helix | 388-395 | 8 | |
| α-helix | 406-422 | 17 | |
| β-strand | 426 | 1 | 2 |
| α-helix | 428-431 | 4 | |
| β-strand | 437-441 | 5 | 3 |
| α-helix | 443-445 | 3 | |
| α-helix | 448-451 | 4 | |
| β-strand | 455 | 1 | 4 |
| β-strand | 463 | 1 | 4 |
| α-helix | 465-473 | 9 | |
| β-strand | 477-480 | 4 | 3 |
| β-strand | 485-487 | 3 | 3 |
| α-helix | 490-494 | 5 | |
| β-strand | 499-504 | 6 | 3 |
| α-helix | 505-506 | 2 | |
| β-strand | 510 | 1 | 2 |
| β-strand | 511-514 | 4 | 3 |
| β-strand | 518-521 | 4 | 3 |
| α-helix | 522 | 1 | |
| β-strand | 525-537 | 13 | 3 |
| β-strand | 540-550 | 11 | 3 |
| α-helix | 552-574 | 23 | |
| β-strand | 583-586 | 4 | 5 |
| α-helix | 592-609 | 18 | |
| α-helix | 612-624 | 13 | |
| β-strand | 629-632 | 4 | 5 |
| α-helix | 636-638 | 3 | |
| α-helix | 640-643 | 4 | |
| α-helix | 649-651 | 3 | |
| β-strand | 657-660 | 4 | 5 |
| α-helix | 661-663 | 3 | |
| β-strand | 665-669 | 5 | 5 |
| α-helix | 680-700 | 21 | |
| α-helix | 708-710 | 3 | |
| α-helix | 712-721 | 10 | |
| α-helix | 728-730 | 3 | |
| α-helix | 733-744 | 12 | |
| α-helix | 749-758 | 10 | |
| α-helix | 760-774 | 15 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Lethal factor | A | protein | 526 | Bacillus anthracis | P15917 (AlphaFold model) |
>4DV8_1 Lethal factor (chains A) MRGSHHHHHHGSRMLSRYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHS LSQEEKELLKRIQIDSSDFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDSSNPLSE KEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGST LYNKIYLYENMNINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINE RPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVV PKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNI QSDLIKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHG PSKGVELRNDSEGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGR TNEAEFFAEAFRLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINS
| ID | Name | Formula | Copies |
|---|---|---|---|
| MLI | Malonate ion | C3 H2 O4 | 1 |
| 0LX | (2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hyd… | C22 H28 F2 N2 O3 | 1 |
| ZN | Zinc ion | Zn | 1 |
Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain. Jiao, G.S., Kim, S., Moayeri, M. et al. Bioorg Med Chem Lett (2012) 22:2242. DOI 10.1016/j.bmcl.2012.01.095 · PubMed
Other PDB entries of the same protein (UniProt P15917 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 4DV8 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.