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Structure of the membrane-binding domain of the SEC3 subunit of the exocyst complex

Analyse Structure of the membrane-binding domain of the SEC3 subunit of the exocyst… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3HIE
Type
protein
Length
646 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exocyst complex component SEC3
UniProt
P33332
Ligands
PO4
Pockets
10 · best druggability 0.50

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExocyst complex component SEC3protein16125% helix, 36% strandP33332
BExocyst complex component SEC3protein16325% helix, 39% strandP33332
CExocyst complex component SEC3protein16425% helix, 38% strandP33332
DExocyst complex component SEC3protein15825% helix, 41% strandP33332

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11630.500.7823empty
21390.450.7724empty
31230.450.7720empty
41390.440.7526empty
5890.400.7723empty

Interfaces

3 interfaces between chains.

  • C–D · 2184 Ų buried · 39 hydrogen bonds · protein-protein
  • A–B · 2066 Ų buried · 42 hydrogen bonds · protein-protein
  • B–C · 75 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3HIE · Structure of the membrane-binding domain of the Sec3 subunit of the Exocyst complex · the same entry in another collection · chain D against D, TM-score 1.00
  • P33332 · AlphaFold monomer V2.0 prediction for exocyst complex component SEC3 (P33332) · a predicted model of the same protein · chain A against A, TM-score 0.92

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