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Alternative structure of human ABCA1

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

PDB: 7ROQ
Type: protein
Length: 1,831 residues
Chains: 1
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phospholipid-transporting ATPase ABCA1
EC: 7.6.2.1
UniProt: O95477
Ligands: CLR, POV, NAG, MAN, BMA
Pockets: 20 · best druggability 0.87

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phospholipid-transporting ATPase ABCA1 (EC 7.6.2.1)	protein	1831	52% helix, 9% strand	O95477

Ligands and binding sites

CLR · Cholesterol · ligand · 2 copies · chains A
POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
MAN · alpha-D-mannopyranose · sugar · 2 copies
BMA · beta-D-mannopyranose · sugar · 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, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	991	0.87	0.88	111	empty
2	895	0.81	0.83	117	empty
3	613	0.80	0.84	75	empty
4	327	0.77	0.87	44	empty
5	87	0.75	0.96	26	empty

Modifications

Observed in the structure: 5 glycan, 4 disulfide, 2 covalent (N-glycosylation, disulfide, covalent ligand).

Compared structures

7ROQ · Alternative Structure of Human ABCA1 · the same entry in another collection · chain A against A, TM-score 1.00
O95477 · AlphaFold monomer V2.0 prediction for phospholipid-transporting ATPase ABCA1 (O95477) · a predicted model of the same protein · chain A against A, TM-score 0.72

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 O95477
Elsewhere: RCSB PDB 7ROQ · PDBe 7ROQ · UniProt O95477

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