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MolNFT v1 · #181257 · protein

Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees celsius, in an intermediate state, class 2

7LPD · Transient receptor potential cation channel subfamily V…: “Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees celsius, in an intermediate state, class 2”. Electron microscopy, 3 ligands (6OU, LBN, 4DY), 20 pockets…

PDB
7LPD
Type
protein
Length
1,988 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transient receptor potential cation channel subfamily V member 1
UniProt
O35433
Ligands
6OU, LBN, 4DY
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 64% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential cation channel subfamily V member 1protein49764% helix, 5% strandO35433

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 12 copies · chains A, D, B, C
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 8 copies · chains A, B, C, D
  • 4DY · (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide · ligand · 4 copies · chains A, D, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15240.840.9052empty
24440.760.8552LBN
34700.760.8456LBN
45790.760.8266LBN
54650.750.8453LBN

Interfaces

5 interfaces between chains.

  • A–D · 2337 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 2332 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 2330 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 2325 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 10 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7LPD · Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an… · the same entry in another collection · chain A against A, TM-score 1.00
  • O35433 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain A against A, TM-score 0.95

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