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Cftr associated ligand (cal) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (rlqrrretqv)

Analyse Cftr associated ligand (cal) PDZ domain bound to HPV18 E6 oncoprotein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JOR
Type
protein
Length
189 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Golgi-associated PDZ and coiled-coil motif-containing protein; Protein E6
UniProt
Q9HD26, P06463
Pockets
2 · best druggability 0.43

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGolgi-associated PDZ and coiled-coil motif-containing proteinprotein8721% helix, 44% strandQ9HD26
CProtein E6protein100% helix, 30% strandP06463
DProtein E6protein50% helix, 60% strandP06463

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.430.7625empty
2550.340.7917empty

Interfaces

4 interfaces between chains.

  • A–C · 493 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 392 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 392 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 212 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4JOR · CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HD26 · AlphaFold monomer V2.0 prediction for golgi-associated PDZ and coiled-coil… · a predicted model of the same protein · chain A against A, TM-score 0.99

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