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MolNFT v1 · #136810 · protein

Crystal structure of NEDD4 lir-fused human LC3B_2-119

5V4K · Microtubule-associated proteins 1A/1B light chain 3B…: “Crystal structure of NEDD4 lir-fused human LC3B_2-119”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.27). MolNFT v1 #136810 on GenesisL1: 3D structure…

PDB
5V4K
Type
protein
Length
249 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Microtubule-associated proteins 1A/1B light chain 3B, microtubule-associated proteins…
UniProt
Q9GZQ8
Ligands
SO4
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMicrotubule-associated proteins 1A/1B light chain 3B, microtubule-associated proteins 1A/1B light chain 3B,MICROTUBULE- associated proteins 1A/1B light chain 3Bprotein12530% helix, 22% strandQ9GZQ8
BMicrotubule-associated proteins 1A/1B light chain 3B, microtubule-associated proteins 1A/1B light chain 3B,MICROTUBULE- associated proteins 1A/1B light chain 3Bprotein12431% helix, 22% strandQ9GZQ8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.270.7313empty

Interfaces

1 interface between chains.

  • A–B · 527 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5V4K · Crystal structure of NEDD4 LIR-fused human LC3B_2-119 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GZQ8 · AlphaFold monomer V2.0 prediction for microtubule-associated proteins 1A/1B light chain… · a predicted model of the same protein · chain B against A, TM-score 0.88

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