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Crystal structure of a ced-9/EGL-1 complex

Analyse Crystal structure of a ced-9/EGL-1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TY4
Type
protein
Length
386 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apoptosis regulator ced-9; Egg laying defective egl-1, programmed cell death activator
UniProt
P41958, O61667
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApoptosis regulator ced-9protein16470% helix, 0% strandP41958
BApoptosis regulator ced-9protein16671% helix, 0% strandP41958
CEgg laying defective egl-1, programmed cell death activatorprotein2979% helix, 0% strandO61667
DEgg laying defective egl-1, programmed cell death activatorprotein2778% helix, 0% strandO61667

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1840.680.9215empty
2980.660.9017empty
33020.530.7438empty
41030.460.8023empty

Interfaces

4 interfaces between chains.

  • A–C · 1233 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 1203 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 240 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 11 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 1TY4 · Crystal structure of a CED-9/EGL-1 complex · the same entry in another collection · chain D against D, TM-score 1.00
  • P41958 · AlphaFold monomer V2.0 prediction for apoptosis regulator ced-9 (P41958) · a predicted model of the same protein · chain B against A, TM-score 0.92
  • O61667 · AlphaFold monomer V2.0 prediction for programmed cell death activator egl-1 (O61667) · a predicted model of the same protein · chain D against A, TM-score 0.79

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