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MolNFT v1 · #181110 · protein

Structure of ATP-free human ABCA4

7LKP · Retinal-specific phospholipid-transporting ATPase ABCA4: “Structure of ATP-free human ABCA4”. Electron microscopy, 5 ligands (CLR, POV, AJP), 20 pockets (best druggability 0.84). MolNFT v1 #181110 on GenesisL1: 3D structure, binding…

PDB
7LKP
Type
protein
Length
1,941 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retinal-specific phospholipid-transporting ATPase ABCA4
EC
7.6.2.1
UniProt
P78363
Ligands
CLR, POV, AJP, NAG, BMA
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 49% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetinal-specific phospholipid-transporting ATPase ABCA4 (EC 7.6.2.1)protein194149% helix, 10% strandP78363

Ligands and binding sites

  • CLR · Cholesterol · ligand · 7 copies · chains A
  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 7 copies · chains A
  • AJP · Digitonin · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 4 copies

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110300.840.8587empty
29160.790.8193empty
33890.700.8253empty
42140.690.8635empty
52260.680.8537empty

Modifications

Observed in the structure: 9 glycan, 6 disulfide, 1 covalent (N-glycosylation, disulfide, covalent ligand, glycosylation).

Compared structures

  • 7LKP · Structure of ATP-free human ABCA4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P78363 · AlphaFold monomer V2.0 prediction for retinal-specific phospholipid- transporting ATPase… · a predicted model of the same protein · chain A against A, TM-score 0.96

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