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MolNFT v1 · #186343 · protein

Structure of TRPV3 in complex with osthole

7RAU · Transient receptor potential cation channel subfamily V…: “Structure of TRPV3 in complex with osthole”. Electron microscopy, 1 ligand (A0O), 20 pockets (best druggability 0.79). MolNFT v1 #186343 on GenesisL1: 3D structure, binding…

PDB
7RAU
Type
protein
Length
2,440 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transient receptor potential cation channel subfamily V member 3
UniProt
Q8K424
Ligands
A0O
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 58% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential cation channel subfamily V member 3protein61058% helix, 5% strandQ8K424

Ligands and binding sites

  • A0O · 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one · ligand · 8 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
18350.790.8298empty
27090.770.8163empty
34240.770.8558empty
44000.760.8662empty
56380.760.8156empty

Interfaces

4 interfaces between chains.

  • A–D · 2179 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 2168 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 2167 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 2160 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7RAU · Structure of TRPV3 in complex with osthole · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8K424 · 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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