Research workbench
The structure of human ABCA1 in digitonin
Analyse The structure of human ABCA1 in digitonin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TC0
- Type
- protein
- Length
- 1,781 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, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-binding cassette, sub-family a (ABC1), member 1 | protein | 1781 | 52% helix, 10% strand | B2RUU2 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · 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, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.82 | 0.84 | 93 | empty |
| 2 | 835 | 0.77 | 0.81 | 78 | empty |
| 3 | 348 | 0.74 | 0.84 | 34 | empty |
| 4 | 55 | 0.70 | 0.97 | 16 | empty |
| 5 | 251 | 0.68 | 0.83 | 31 | empty |
Modifications
Observed in the structure: 6 disulfide, 4 glycan, 1 covalent (disulfide, N-glycosylation, covalent ligand).
Compared structures
- 7TC0 · The structure of human ABCA1 in digitonin · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt B2RUU2
- Elsewhere: RCSB PDB 7TC0 · PDBe 7TC0 · UniProt B2RUU2
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