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ELIC apo in POPC nanodisc

Analyse ELIC apo in POPC nanodisc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8D63
Type
protein
Length
1,535 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.14
Source
Dickeya dadantii
Molecule
Erwinia ligand-gated ion channel
UniProt
E0SJQ4
Ligands
LBN
Pockets
20 · best druggability 0.85

Structure

electron microscopy · resolution 3.14 · 1 distinct chain · 30% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EErwinia ligand-gated ion channelprotein30730% helix, 32% strandE0SJQ4

Ligands and binding sites

  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 5 copies · chains A, E, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.850.9724empty
27850.790.8379empty
36820.790.8476empty
47750.790.8381empty
57130.790.8378empty

Interfaces

10 interfaces between chains.

  • A–E · 2613 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 2563 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 2545 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 2538 Ų buried · 12 hydrogen bonds · protein-protein
  • D–E · 2514 Ų buried · 10 hydrogen bonds · protein-protein

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