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MolNFT v1 · #116827 · protein

Crystal structure of PLEKHM1 lir-fused human GABARAPL1_2-117

5DPT · Pleckstrin homology domain-containing family M member 1…: “Crystal structure of PLEKHM1 lir-fused human GABARAPL1_2-117”. X-ray diffraction, 5 pockets (best druggability 0.53). MolNFT v1 #116827 on GenesisL1: 3D structure, binding…

PDB
5DPT
Type
protein
Length
245 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pleckstrin homology domain-containing family M member 1, gamma-aminobutyric acid…
UniProt
Q9Y4G2, Q9H0R8
Pockets
5 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APleckstrin homology domain-containing family M member 1, gamma-aminobutyric acid receptor-associated protein-like 1,GAMMA- aminobutyric acid receptor-associated protein-like 1protein12231% helix, 24% strandQ9Y4G2, Q9H0R8
BPleckstrin homology domain-containing family M member 1, gamma-aminobutyric acid receptor-associated protein-like 1,GAMMA- aminobutyric acid receptor-associated protein-like 1protein12331% helix, 21% strandQ9Y4G2, Q9H0R8

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.530.7922empty
21490.460.7719empty
3840.420.7918empty
4640.330.7618empty
5500.250.7312empty

Interfaces

1 interface between chains.

  • A–B · 761 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 5DPT · Crystal structure of PLEKHM1 LIR-fused human GABARAPL1_2-117 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H0R8 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid receptor-associated… · a predicted model of the same protein · chain A against A, TM-score 0.92
  • Q9Y4G2 · AlphaFold monomer V2.0 prediction for pleckstrin homology domain- containing family M… · a predicted model of the same protein · chain B against A, TM-score 0.35

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