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Structure of A6 reveals a novel lipid transporter

Analyse Structure of A6 reveals a novel lipid transporter in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BR8
Type
protein
Length
498 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein A6 homolog
UniProt
Q9J563
Ligands
6OU, PGV
Pockets
8 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein A6 homologprotein24977% helix, 3% strandQ9J563

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 8 copies · chains A, B
  • PGV · (1R)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11E)-octadec-11-enoate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15230.620.74466OU
24790.610.74426OU
34950.610.7448empty
42360.560.7831empty
53250.550.7432empty

Interfaces

1 interface between chains.

  • A–B · 523 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 6BR8 · Structure of A6 reveals a novel lipid transporter · the same entry in another collection · chain A against A, TM-score 1.00

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