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MolNFT v1 · #186814 · protein

Cryo-EM structure of the full-length TRPV1 with rtx at 25 degrees celsius, in an open state, class B

7RQY · Transient receptor potential cation channel subfamily V…: “Cryo-EM structure of the full-length TRPV1 with rtx at 25 degrees celsius, in an open state, class B”. Electron microscopy, 3 ligands (6OU, 6EU, LBN), 20 pockets (best…

PDB
7RQY
Type
protein
Length
2,100 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, 6EU, LBN
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 1 distinct chain · 59% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential cation channel subfamily V member 1protein52559% 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 · 8 copies · chains A, D, B, C
  • 6EU · resiniferatoxin · ligand · 4 copies · chains A, C, B, D
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 4 copies · chains A, 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, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111310.810.8290empty
24780.740.8353LBN
35010.740.8255LBN
4810.740.9717empty
54820.730.8256LBN

Interfaces

4 interfaces between chains.

  • A–C · 2209 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 2195 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 2188 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 2186 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7RQY · Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open… · 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 0.93

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