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Structure of the TRPML2 eld at pH 4.5

Analyse Structure of the TRPML2 eld at pH 4.5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HRS
Type
protein
Length
1,491 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mucolipin-2
UniProt
Q8IZK6
Pockets
17 · best druggability 0.65

Structure

x-ray diffraction · 8 distinct chains · 27% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMucolipin-2protein18526% helix, 32% strandQ8IZK6
BMucolipin-2protein19128% helix, 31% strandQ8IZK6
CMucolipin-2protein18727% helix, 32% strandQ8IZK6
DMucolipin-2protein18928% helix, 36% strandQ8IZK6
EMucolipin-2protein18728% helix, 33% strandQ8IZK6
FMucolipin-2protein18225% helix, 33% strandQ8IZK6
GMucolipin-2protein18726% helix, 35% strandQ8IZK6
HMucolipin-2protein18329% helix, 36% strandQ8IZK6

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, C

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

Pockets

17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.650.9021empty
21520.640.8631empty
32790.610.7941empty
41570.580.8229empty
51310.520.8024empty

Interfaces

9 interfaces between chains.

  • B–D · 1215 Ų buried · 8 hydrogen bonds · protein-protein
  • E–G · 1064 Ų buried · 12 hydrogen bonds · protein-protein
  • F–H · 1008 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 984 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 968 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6HRS · Structure of the TRPML2 ELD at pH 4.5 · the same entry in another collection · chain H against H, TM-score 1.00
  • Q8IZK6 · AlphaFold monomer V2.0 prediction for mucolipin-2 (Q8IZK6) · a predicted model of the same protein · chain H against A, TM-score 0.93

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