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MolNFT v1 · #181950 · protein

Cryo-EM structure of zebrafish TRPM5 in the presence of 6 um calcium (open state)

7MBS · Transient receptor potential melastatin 5: “Cryo-EM structure of zebrafish TRPM5 in the presence of 6 um calcium (open state)”. Electron microscopy, 4 ligands (YUV, YUY, NAG), 20 pockets (best druggability 0.85). MolNFT v1 #181950…

PDB
7MBS
Type
protein
Length
3,984 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transient receptor potential melastatin 5
UniProt
S5UH55
Ligands
YUV, YUY, NAG, CA
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 62% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransient receptor potential melastatin 5protein99662% helix, 8% strandS5UH55

Ligands and binding sites

  • YUV · (25R)-14beta,17beta-spirost-5-en-3beta-ol · ligand · 4 copies · chains A, B, C, D
  • YUY · (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside · ligand · 4 copies · chains A, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
  • CA · Calcium ion · metal · 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
110140.850.8663empty
2900.740.9622empty
39970.740.7770empty
4840.740.9721empty
5810.740.9720empty

Interfaces

6 interfaces between chains.

  • A–D · 3142 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 3136 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 3134 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 3131 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 38 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 glycan (N-glycosylation).

Compared structures

  • 7MBS · Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state) · the same entry in another collection · chain A against A, TM-score 1.00

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