Anthrax toxin lethal factor with bound small molecule inhibitor GM6001. Determined by X-ray diffraction at 1.75 Å resolution. Released 12 Nov 2014.
Explore 4PKW in 3D Show helices and sheets RCSB PDB PDBe
4PKW contains 34 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 | 279-283 | 5 | |
| α-helix | 287-297 | 11 | |
| α-helix | 299 | 1 | |
| β-strand | 300 | 1 | 1 |
| α-helix | 301-303 | 3 | |
| α-helix | 304-310 | 7 | |
| α-helix | 313-321 | 9 | |
| α-helix | 324-326 | 3 | |
| α-helix | 332-346 | 15 | |
| α-helix | 370-379 | 10 | |
| α-helix | 380-383 | 4 | |
| β-strand | 386 | 1 | 1 |
| α-helix | 388-395 | 8 | |
| α-helix | 406-422 | 17 | |
| β-strand | 426 | 1 | 2 |
| 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 | 492-494 | 3 | |
| 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 | |
| α-helix | 576-577 | 2 | |
| 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 | 519 | Bacillus anthracis | P15917 (AlphaFold model) |
>4PKW_1 Lethal factor (chains A) SNALSRYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKR IQIDSSDFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDSSNPLSEKEKEFLKKLKL DIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENM NINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKW RIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVVPKSKIDTKIQE AQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNY LVDGNGRFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDS EGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAF RLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINSLVPR
| ID | Name | Formula | Copies |
|---|---|---|---|
| ZN | Zinc ion | Zn | 1 |
| GM6 | 3-(N-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide | C20 H28 N4 O4 | 1 |
Water and common crystallization additives (GOL, EDO) are not listed.
Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Maize, K.M., Kurbanov, E.K., De La Mora-Rey, T. et al. Acta Crystallogr D Biol Crystallogr (2014) 70:2813-2822. DOI 10.1107/S1399004714018161 · PubMed
Other PDB entries of the same protein (UniProt P15917 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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