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Cryo-EM structure of TRPV5 T709D with PI(4,5)P2 in nanodiscs

Analyse Cryo-EM structure of TRPV5 T709D with PI(4,5)P2 in nanodiscs in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7T6Q
Type
protein
Length
2,424 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transient receptor potential cation channel subfamily V member 5
UniProt
Q9XSM3
Ligands
PIO
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 55% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential cation channel subfamily V member 5protein60655% helix, 4% strandQ9XSM3

Ligands and binding sites

  • PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · 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
19840.840.8574empty
21190.780.9626empty
31120.770.9725empty
41120.770.9726empty
51110.760.9525empty

Interfaces

6 interfaces between chains.

  • A–B · 3408 Ų buried · 29 hydrogen bonds · protein-protein
  • A–C · 3400 Ų buried · 28 hydrogen bonds · protein-protein
  • B–D · 3369 Ų buried · 27 hydrogen bonds · protein-protein
  • C–D · 3362 Ų buried · 27 hydrogen bonds · protein-protein
  • A–D · 33 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 7T6Q · Cryo-EM structure of TRPV5 T709D with PI(4,5)P2 in nanodiscs · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9XSM3 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain A against A, TM-score 0.99

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