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Structure of the TSG101 uev domain in complex with an ebola ptap late domain peptide

Analyse Structure of the TSG101 uev domain in complex with an ebola ptap late domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EJE
Type
protein
Length
303 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor susceptibility gene 101 protein; Matrix protein VP40
UniProt
Q99816, Q05128
Ligands
SO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATumor susceptibility gene 101 proteinprotein14327% helix, 32% strandQ99816
BTumor susceptibility gene 101 proteinprotein14228% helix, 30% strandQ99816
C, DMatrix protein VP40protein90% helix, 11% strandQ05128

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.750.9325empty
21220.450.7829empty

Interfaces

3 interfaces between chains.

  • A–B · 594 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 547 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 509 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4EJE · Structure Of The Tsg101 UEV Domain In Complex With an Ebola PTAP late Domain Peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99816 · AlphaFold monomer V2.0 prediction for tumor susceptibility gene 101 protein (Q99816) · a predicted model of the same protein · chain A against A, TM-score 0.98

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