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MolNFT v1 · #177108 · protein

Cryo-EM structure of human ABCA4 in ATP-bound state

7E7Q · Retinal-specific phospholipid-transporting ATPase ABCA4: “Cryo-EM structure of human ABCA4 in ATP-bound state”. Electron microscopy, 4 ligands (ATP, NAG, BMA), 20 pockets (best druggability 0.85). MolNFT v1 #177108 on GenesisL1: 3D…

PDB
7E7Q
Type
protein
Length
1,958 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
ATP, NAG, BMA, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 44% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetinal-specific phospholipid-transporting ATPase ABCA4 (EC 7.6.2.1)protein195844% helix, 9% strandP78363

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 6 copies · chains A
  • MG · Magnesium ion · metal · 2 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, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17640.850.8858empty
28620.810.8483empty
35800.810.8650empty
48390.790.8291ATP, MG
511110.750.7788empty

Modifications

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

Compared structures

  • 7E7Q · Cryo-EM structure of human ABCA4 in ATP-bound state · 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 0.75

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