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MolNFT v1 · #180647 · protein

Unliganded elic in styrene-maleic-acid nanodiscs at 2.5-ångström resolution

7L6Q · Gamma-aminobutyric-acid receptor subunit beta-1: “Unliganded elic in styrene-maleic-acid nanodiscs at 2.5-ångström resolution”. Electron microscopy, 2 ligands (PGW, CDL), 20 pockets (best druggability 0.81). MolNFT v1 #180647 on…

PDB
7L6Q
Type
protein
Length
1,555 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gamma-aminobutyric-acid receptor subunit beta-1
UniProt
E0SJQ4
Ligands
PGW, CDL
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 1 distinct chain · 36% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EGamma-aminobutyric-acid receptor subunit beta-1protein31136% helix, 32% strandE0SJQ4

Ligands and binding sites

  • PGW · (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate · ligand · 5 copies · chains A, B, E, C, D
  • CDL · Cardiolipin · 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
11550.810.9720empty
27870.790.8379empty
37370.790.8371empty
47120.780.8368empty
58530.780.8181empty

Interfaces

10 interfaces between chains.

  • A–E · 2532 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 2525 Ų buried · 22 hydrogen bonds · protein-protein
  • B–C · 2523 Ų buried · 21 hydrogen bonds · protein-protein
  • D–E · 2522 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 2519 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 7L6Q · Unliganded ELIC in styrene-maleic-acid nanodiscs at 2.5-Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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