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Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc

Analyse Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BGI
Type
protein
Length
1,020 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anoctamin-1
UniProt
Q8BHY3
Ligands
CA
Pockets
12 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAnoctamin-1protein51066% helix, 0% strandQ8BHY3

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

12 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111800.840.85117empty
27780.830.8588CA
36580.820.8767empty
47980.770.8170empty
54590.650.7851empty

Interfaces

1 interface between chains.

  • A–B · 586 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6BGI · Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8BHY3 · AlphaFold monomer V2.0 prediction for anoctamin-1 (Q8BHY3) · a predicted model of the same protein · chain B against A, TM-score 0.87

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