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Crystal structure of the human TRPV4 ankyrin repeat domain

Analyse Crystal structure of the human TRPV4 ankyrin repeat domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4DX2
Type
protein
Length
492 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transient receptor potential cation channel subfamily V member 4
UniProt
Q9HBA0
Ligands
ATP, BGC
Pockets
8 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransient receptor potential cation channel subfamily V member 4protein24752% helix, 2% strandQ9HBA0
BTransient receptor potential cation channel subfamily V member 4protein24551% helix, 2% strandQ9HBA0

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16990.770.8268empty
2840.420.7816empty
31290.420.7624empty
41050.410.7715empty
5800.340.7614empty

Interfaces

1 interface between chains.

  • A–B · 703 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 4DX2 · Crystal structure of the human TRPV4 ankyrin repeat domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HBA0 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain B against A, TM-score 0.99

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