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The structure of human ABCA1 in nanodisc

Analyse The structure of human ABCA1 in nanodisc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TBY
Type
protein
Length
1,788 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-binding cassette, sub-family a (ABC1), member 1
UniProt
B2RUU2
Ligands
CLR, NAG, BMA
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 52% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-binding cassette, sub-family a (ABC1), member 1protein178852% helix, 9% strandB2RUU2

Ligands and binding sites

  • CLR · Cholesterol · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 3 copies · chains A

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
111110.820.84128empty
211650.810.8296empty
36720.810.8481empty
43800.710.8255empty
53730.690.8245empty

Modifications

Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 7TBY · The structure of human ABCA1 in nanodisc · the same entry in another collection · chain A against A, TM-score 1.00

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