1ZXV: Anthrax Lethal Factor

X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid. Determined by X-ray diffraction at 2.67 Å resolution. Released 5 Jul 2005.

Method
X-ray diffraction
Resolution
2.67 Å
Organism
Bacillus anthracis
Chains
2
Atoms
12,088
Mol. weight
181.63 kDa
Ligands
MFM, ZN
Released
5 Jul 2005

Explore 1ZXV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1ZXV contains 94 α-helices and 48 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.

Chain A: 44 helices, 24 β-strands

ElementResiduesLengthSheet
α-helix30-4314
β-strand44-4741
α-helix56-649
α-helix68-769
β-strand80-8451
α-helix88-903
α-helix92-943
α-helix99-1024
β-strand10512
β-strand11112
β-strand119-12241
β-strand128-13251
α-helix141-15414
α-helix155-1595
α-helix160-1634
α-helix168-17811
α-helix184-1896
α-helix192-1965
α-helix203-2086
α-helix210-22516
α-helix227-23610
α-helix238-2469
α-helix247-2515
α-helix252-26110
α-helix264-27714
α-helix279-2846
α-helix287-2959
α-helix2991
β-strand30013
α-helix301-3033
α-helix304-3085
α-helix313-3219
α-helix332-34211
α-helix370-38213
β-strand38613
α-helix388-3958
α-helix406-42217
β-strand42614
β-strand436-44165
α-helix444-4518
β-strand45516
β-strand46316
α-helix465-4728
β-strand477-48045
β-strand485-48735
α-helix492-4943
β-strand499-50465
β-strand51014
β-strand511-51445
β-strand518-52145
α-helix5221
β-strand525-537135
β-strand540-550115
α-helix552-57423
β-strand583-58647
α-helix592-60817
α-helix612-62413
β-strand629-63247
α-helix636-6383
α-helix640-6434
β-strand657-66047
β-strand665-66957
α-helix680-69819
α-helix712-72110
α-helix727-7304
α-helix733-74412
α-helix749-7568
α-helix760-77516
Chain B: 50 helices, 24 β-strands
ElementResiduesLengthSheet
α-helix31-4313
β-strand44-4638
α-helix54-629
α-helix68-769
β-strand80-8458
α-helix88-903
α-helix92-943
α-helix100-1023
β-strand103-10539
β-strand111-11339
α-helix114-1163
β-strand119-12248
β-strand128-13258
α-helix136-1394
α-helix141-15313
α-helix154-1596
α-helix160-1634
α-helix168-17811
α-helix184-1896
α-helix192-1954
α-helix200-2023
α-helix205-2084
α-helix210-22516
α-helix227-23610
α-helix238-2469
α-helix247-2515
α-helix252-2609
α-helix264-27714
α-helix279-2846
α-helix287-29711
α-helix2991
β-strand300110
α-helix301-3033
α-helix304-3096
α-helix313-3219
α-helix332-34514
α-helix368-3692
α-helix370-38213
β-strand386110
α-helix388-3958
α-helix406-42217
β-strand426111
β-strand436-442712
α-helix444-4518
β-strand455113
β-strand463113
α-helix465-4728
β-strand477-480412
β-strand485-487312
α-helix492-4943
β-strand497-504812
β-strand510111
β-strand511-514412
β-strand518-521412
α-helix5221
β-strand525-5371312
β-strand540-5511212
α-helix552-57322
α-helix576-5772
β-strand583-586414
α-helix592-60817
α-helix612-62312
β-strand629-632414
α-helix636-6383
α-helix640-6434
α-helix649-6513
β-strand657-660414
β-strand665-669514
α-helix680-69819
α-helix712-72110
α-helix729-7313
α-helix733-74412
α-helix749-7568
α-helix760-77415

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
lethal factorA, Bprotein776Bacillus anthracisP15917 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>1ZXV_1 lethal factor (chains A, B)
AGGHGDVGMHVKEKEKNKDENKRKDEERNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAE
KLLEKVPSDVLEMYKAIGGKIYIVDGDITKHISLEALSEDKKKIKDIYGKDALLHEHYVY
AKEGYEPVLVIQSSEDYVENTEKALNVYYEIGKILSRDILSKINQPYQKFLDVLNTIKNA
SDSDGQDLLFTNQLKEHPTDFSVEFLEQNSNEVQEVFAKAFAYYIEPQHRDVLQLYAPEA
FNYMDKFNEQEINLSLEELKDQRMLSRYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPI
EPKKDDIIHSLSQEEKELLKRIQIDSSDFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRI
QVDSSNPLSEKEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNID
ALLHQSIGSTLYNKIYLYENMNINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSIS
SNYMIVDINERPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEK
EYIRIDAKVVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVESAY
LILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYV
PESRSILLHGPSKGVELRNDSEGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKE
EGSNLTSYGRTNEAEFFAEAFRLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINS

Ligands and cofactors

IDNameFormulaCopies
MFM(e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-Y…C17 H12 Cl N O4 S22
ZNZinc ionZn2

Primary citation

Efficient synthetic inhibitors of anthrax lethal factor. Forino, M., Johnson, S., Wong, T.Y. et al. Proc Natl Acad Sci U S A (2005) 102:9499-9504. DOI 10.1073/pnas.0502733102 · PubMed

Other PDB entries of the same protein (UniProt P15917 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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