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Cryo-EM structure of human proton-activated chloride channel pac at pH 8

Analyse Cryo-EM structure of human proton-activated chloride channel pac at pH 8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JNA
Type
protein
Length
834 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proton-activated chloride channel
UniProt
Q9H813
Ligands
NAG
Pockets
5 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 30% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CProton-activated chloride channelprotein27830% helix, 25% strandQ9H813

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A, B, C

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111330.830.84131empty
23510.820.9143empty
32760.650.8137empty
45200.630.7645empty
51800.610.8332empty

Interfaces

3 interfaces between chains.

  • A–C · 1516 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 1515 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 1508 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 glycan, 3 disulfide (N-glycosylation, disulfide).

Compared structures

  • 7JNA · Cryo-EM structure of human proton-activated chloride channel PAC at pH 8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H813 · AlphaFold monomer V2.0 prediction for proton-activated chloride channel (Q9H813) · a predicted model of the same protein · chain A against A, TM-score 0.79

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