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MolNFT v1 · #109320 · protein

Human cftr AA389-678 (NBD1), DELTAF508 with three solubilizing mutations, bound ATP

4WZ6 · Cystic fibrosis transmembrane conductance regulator: “Human cftr AA389-678 (NBD1), DELTAF508 with three solubilizing mutations, bound ATP”. X-ray diffraction, 2 ligands (ATP, MG), 1 pocket (best druggability 0.55). MolNFT v1 #109320…

PDB
4WZ6
Type
protein
Length
258 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cystic fibrosis transmembrane conductance regulator
EC
3.6.3.49
UniProt
P13569
Ligands
ATP, MG
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACystic fibrosis transmembrane conductance regulator (EC 3.6.3.49)protein25842% helix, 21% strandP13569

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11160.550.8335MG

Compared structures

  • 4WZ6 · Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP · the same entry in another collection · chain A against A, TM-score 1.00
  • P13569 · AlphaFold monomer V2.0 prediction for cystic fibrosis transmembrane conductance regulator… · a predicted model of the same protein · chain A against A, TM-score 0.91

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