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MolNFT v1 · #159882 · protein

Cryo-EM structure of TMEM16F in digitonin with calcium bound

6P46 · Anoctamin-6: “Cryo-EM structure of TMEM16F in digitonin with calcium bound”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.77). MolNFT v1 #159882 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6P46
Type
protein
Length
1,380 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anoctamin-6
UniProt
Q6P9J9
Ligands
CA
Pockets
20 · best druggability 0.77

Structure

electron microscopy · 1 distinct chain · 52% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAnoctamin-6protein69052% helix, 2% strandQ6P9J9

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110330.770.7995empty
29830.770.7983empty
31810.720.8943empty
43580.720.8356empty
53030.710.8445empty

Interfaces

1 interface between chains.

  • A–B · 878 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6P46 · Cryo-EM structure of TMEM16F in digitonin with calcium bound · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6P9J9 · AlphaFold monomer V2.0 prediction for anoctamin-6 (Q6P9J9) · a predicted model of the same protein · chain B against A, TM-score 0.93

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