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Nucleotide bound ABCB4

Analyse Nucleotide bound ABCB4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6S7P
Type
protein
Length
1,128 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylcholine translocator ABCB4
EC
7.6.2.1
UniProt
P21439
Ligands
CLR, ATP, MG
Pockets
14 · best druggability 0.88

Structure

electron microscopy · 1 distinct chain · 63% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylcholine translocator ABCB4 (EC 7.6.2.1)protein112863% helix, 9% strandP21439

Ligands and binding sites

  • CLR · Cholesterol · ligand · 8 copies · chains A
  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
  • MG · Magnesium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17240.880.9171empty
25910.860.9178ATP, MG
35560.850.9181ATP
4860.750.9722empty
53300.630.7936CLR

Compared structures

  • 6S7P · Nucleotide bound ABCB4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P21439 · AlphaFold monomer V2.0 prediction for phosphatidylcholine translocator ABCB4 (P21439) · a predicted model of the same protein · chain A against A, TM-score 0.70

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