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MolNFT v1 · #181253 · protein

Cryo-EM structure of full-length TRPV1 at 4 degrees celsius

7LP9 · Transient receptor potential cation channel subfamily V…: “Cryo-EM structure of full-length TRPV1 at 4 degrees celsius”. Electron microscopy, 5 ligands (6OU, LBN, T7X), 20 pockets (best druggability 0.85). MolNFT v1 #181253 on…

PDB
7LP9
Type
protein
Length
2,536 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, T7X, YFP, NA
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 56% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential cation channel subfamily V member 1protein63456% helix, 6% strandO35433

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 28 copies · chains A, D, B, C
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 8 copies · chains A, D, B, C
  • T7X · Phosphatidylinositol · ligand · 4 copies · chains A, D, B, C
  • YFP · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol · ligand · 4 copies · chains A, B, C, D
  • NA · Sodium ion · metal · 2 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
12820.850.9532NA
210190.800.8184T7X, LBN
310020.800.8189T7X, LBN
410490.800.8183T7X, LBN
58460.790.8274T7X, LBN

Interfaces

6 interfaces between chains.

  • A–D · 2953 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 2944 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 2935 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 2933 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 24 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7LP9 · Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius · 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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