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MolNFT v1 · #175887 · protein

Structure of human TRPC5 in complex with hc-070

7D4Q · Short transient receptor potential channel 5: “Structure of human TRPC5 in complex with hc-070”. Electron microscopy, 6 ligands (PTY, POV, Y01), 20 pockets (best druggability 0.86). MolNFT v1 #175887 on GenesisL1: 3D structure…

PDB
7D4Q
Type
protein
Length
2,672 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Short transient receptor potential channel 5
UniProt
Q9UL62
Ligands
PTY, POV, Y01, GWR, ZN, CA
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 1 distinct chain · 68% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DShort transient receptor potential channel 5protein66868% helix, 1% strandQ9UL62

Ligands and binding sites

  • PTY · Phosphatidylethanolamine · ligand · 4 copies · chains A, D, B, C
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 4 copies · chains A, B, C, D
  • Y01 · Cholesterol hemisuccinate · ligand · 4 copies · chains A, D, B, C
  • GWR · 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione · ligand · 4 copies · chains A, D, B, C
  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
  • CA · Calcium ion · metal · 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
111870.860.8688empty
210880.830.84100empty
311250.830.8399empty
410990.820.8399empty
511880.820.8399empty

Interfaces

6 interfaces between chains.

  • A–D · 5074 Ų buried · 33 hydrogen bonds · protein-protein
  • B–C · 5066 Ų buried · 33 hydrogen bonds · protein-protein
  • A–B · 5063 Ų buried · 33 hydrogen bonds · protein-protein
  • C–D · 5057 Ų buried · 33 hydrogen bonds · protein-protein
  • A–C · 99 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7D4Q · Structure of human TRPC5 in complex with HC-070 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UL62 · AlphaFold monomer V2.0 prediction for short transient receptor potential channel 5… · a predicted model of the same protein · chain A against A, TM-score 0.99

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