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Structure paper

TitleRearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Journal, issue, pagesProc Natl Acad Sci U S A, Vol. 119, Issue 5, Year 2022
Publish dateFeb 1, 2022
AuthorsAnu Tyagi / Tofayel Ahmed / Shi Jian / Saumya Bajaj / Seow Theng Ong / Stephanie Shee Min Goay / Yue Zhao / Igor Vorobyov / Changlin Tian / K George Chandy / Shashi Bhushan /
PubMed AbstractWe report two structures of the human voltage-gated potassium channel (Kv) Kv1.3 in immune cells alone (apo-Kv1.3) and bound to an immunomodulatory drug called dalazatide (dalazatide-Kv1.3). Both the ...We report two structures of the human voltage-gated potassium channel (Kv) Kv1.3 in immune cells alone (apo-Kv1.3) and bound to an immunomodulatory drug called dalazatide (dalazatide-Kv1.3). Both the apo-Kv1.3 and dalazatide-Kv1.3 structures are in an activated state based on their depolarized voltage sensor and open inner gate. In apo-Kv1.3, the aromatic residue in the signature sequence (Y447) adopts a position that diverges 11 Å from other K channels. The outer pore is significantly rearranged, causing widening of the selectivity filter and perturbation of ion binding within the filter. This conformation is stabilized by a network of intrasubunit hydrogen bonds. In dalazatide-Kv1.3, binding of dalazatide to the channel's outer vestibule narrows the selectivity filter, Y447 occupies a position seen in other K channels, and this conformation is stabilized by a network of intersubunit hydrogen bonds. These remarkable rearrangements in the selectivity filter underlie Kv1.3's transition into the drug-blocked state.
External linksProc Natl Acad Sci U S A / PubMed:35091471 / PubMed Central
MethodsEM (single particle)
Resolution2.7 - 3.9 Å
Structure data

32459

7wf3

EMDB-32459, PDB-7wf3:
Composite map of human Kv1.3 channel in apo state with beta subunits
Method: EM (single particle) / Resolution: 3.4 Å

32460

7wf4

EMDB-32460, PDB-7wf4:
Composite map of human Kv1.3 channel in dalazatide-bound state with beta subunits
Method: EM (single particle) / Resolution: 3.4 Å

EMDB-32486:
TM domain of human Kv1.3 channel in apo state
Method: EM (single particle) / Resolution: 3.4 Å

EMDB-32487:
T1 domain of human Kv1.3 channel in apo state with Beta subunit
Method: EM (single particle) / Resolution: 2.9 Å

EMDB-32488:
TM domain of human Kv1.3 channel in dalazatide-bound state
Method: EM (single particle) / Resolution: 3.4 Å

EMDB-32489:
T1 domain of human Kv1.3 channel in dalazatide-bound state with Beta subunit
Method: EM (single particle) / Resolution: 2.7 Å

EMDB-32494:
C1 map of TM domain of human Kv1.3 channel in apo state
Method: EM (single particle) / Resolution: 3.9 Å

EMDB-32495:
C1 map of TM domain of human Kv1.3 channel in dalazatide-bound state
Method: EM (single particle) / Resolution: 3.7 Å

Chemicals

ChemComp-K:
Unknown entry

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / Ion channel / Kv channel / Potassium channel / Peptide toxin / ShK / Dalazatide / Selectivity filter / Molecular dynamics simulation

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