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MolNFT v1 · #181258 · protein

Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees celsius, in an open state, class 1

7LPE · Transient receptor potential cation channel subfamily V…: “Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees celsius, in an open state, class 1”. Electron microscopy, 3 ligands (LBN, 6OU, 4DY), 20 pockets (best…

PDB
7LPE
Type
protein
Length
1,944 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
LBN, 6OU, 4DY
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 65% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, B, A, DTransient receptor potential cation channel subfamily V member 1protein48665% helix, 5% strandO35433

Ligands and binding sites

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

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
18090.830.8563empty
210020.800.81119empty
310200.770.79111empty
49960.770.79110empty
510400.770.79108empty

Interfaces

4 interfaces between chains.

  • B–A · 1960 Ų buried · 3 hydrogen bonds · protein-protein
  • C–B · 1958 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 1954 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 1951 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7LPE · Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an open… · the same entry in another collection · chain C against C, TM-score 1.00
  • O35433 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain C against A, TM-score 0.94

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