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MolNFT v1 · #186810 · protein

Cryo-EM structure of the full-length TRPV1 with rtx at 4 degrees celsius, in a closed state, class I

7RQU · Transient receptor potential cation channel subfamily V…: “Cryo-EM structure of the full-length TRPV1 with rtx at 4 degrees celsius, in a closed state, class I”. Electron microscopy, 5 ligands (6OU, LBN, 6EU), 20 pockets (best…

PDB
7RQU
Type
protein
Length
2,416 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, 6EU, YFP, NA
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 58% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, B, DTransient receptor potential cation channel subfamily V member 1protein60458% helix, 4% strandO35433

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 20 copies · chains A, B, D, C
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 8 copies · chains A, D, C, B
  • 6EU · resiniferatoxin · ligand · 4 copies · chains A, D, C, B
  • YFP · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol · ligand · 4 copies · chains A, D, C, B
  • NA · Sodium ion · metal · 2 copies · chains A, C, B, 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
13510.840.9336NA
25190.770.8455LBN
34730.770.8547LBN
45010.760.8453LBN
54560.750.8450LBN

Interfaces

6 interfaces between chains.

  • C–B · 2695 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 2695 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 2693 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 2690 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 12 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7RQU · Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed… · 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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