6SUS: Bifunctional hemolysin/adenylate cyclase

Crystal structure of RTX domain blocks IV and V of adenylate cyclase toxin from Bordetella pertussis. Determined by X-ray diffraction at 1.76 Å resolution. Released 16 Sept 2020.

Method
X-ray diffraction
Resolution
1.76 Å
Organism
Bordetella pertussis Tohama I
Chains
1
Atoms
2,248
Mol. weight
33.85 kDa
Ligands
CA
Released
16 Sept 2020

Explore 6SUS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6SUS contains 3 α-helices and 27 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.

Chain A: 3 helices, 27 β-strands

ElementResiduesLengthSheet
β-strand141111
β-strand1418-142032
β-strand1427-142931
β-strand1436-143832
β-strand1445-144731
β-strand1454-145632
β-strand1463-146531
β-strand1474-147632
β-strand1483-148531
β-strand1500-150342
β-strand1508-151142
β-strand1514-152292
β-strand1526-152831
β-strand1535-153732
β-strand1544-154631
β-strand1553-155532
β-strand1562-156431
β-strand1571-157332
β-strand1580-158451
β-strand1589-159352
β-strand1598-160361
β-strand1610-161452
α-helix1617-16193
β-strand1620-162561
β-strand1628-163361
β-strand1639-164241
α-helix1649-16513
β-strand1655-165842
β-strand1661-166442
α-helix1665-167410

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Bifunctional hemolysin/adenylate cyclaseAprotein320Bordetella pertussis Tohama IP0DKX7 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>6SUS_1 Bifunctional hemolysin/adenylate cyclase (chains A)
GILADLGAGRVDKLGEAGSSAYDTVSGIENVVGTELADRITGDAQANVLRGAGGADVLAG
GEGDDVLLGGDGDDQLSGDAGRDRLYGEAGDDWFFQDAANAGNLLDGGDGRDTVDFSGPG
RGLDAGAKGVFLSLGKGFASLMDEPETSNVLRNIENAVGSARDDVLIGDAGANVLNGLAG
NDVLSGGAGDDVLLGDEGSDLLSGDAGNDDLFGGQGDDTYLFGVGYGHDTIYESGGGHDT
IRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEK
LVEAMAQYPDPGAAAAAPPA

Ligands and cofactors

IDNameFormulaCopies
CACalcium ionCa15

Water and common crystallization additives (EDO, NO3, GOL, PGE) are not listed.

Primary citation

Continuous Assembly of beta-Roll Structures Is Implicated in the Type I-Dependent Secretion of Large Repeat-in-Toxins (RTX) Proteins. Motlova, L., Klimova, N., Fiser, R. et al. J Mol Biol (2020) 432:5696-5710. DOI 10.1016/j.jmb.2020.08.020 · PubMed

Other PDB entries of the same protein (UniProt P0DKX7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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