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MolNFT v1 · #140590 · protein

Cryo-EM structure of the exocyst complex

5YFP · Exocyst complex component SEC3: “Cryo-EM structure of the exocyst complex”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #140590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YFP
Type
protein
Length
5,982 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exocyst complex component SEC3; Exocyst complex component SEC5; Exocyst complex component…
UniProt
P33332, P89102, P32844, P32855, Q06245, P22224, P19658, P38261
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 8 distinct chains · 54% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExocyst complex component SEC3protein67241% helix, 0% strandP33332
BExocyst complex component SEC5protein92852% helix, 0% strandP89102
CExocyst complex component SEC6protein79456% helix, 0% strandP32844
DExocyst complex component SEC8protein95452% helix, 0% strandP32855
EExocyst complex component SEC10protein77654% helix, 0% strandQ06245
FExocyst complex component SEC15protein72557% helix, 0% strandP22224
GExocyst complex component EXO70protein61570% helix, 0% strandP19658
HExocyst complex component EXO84protein51853% helix, 7% strandP38261

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18190.850.88134empty
28500.820.84105empty
39690.790.81112empty
45180.790.8693empty
55030.780.8695empty

Interfaces

18 interfaces between chains.

  • A–B · 2040 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1558 Ų buried · 5 hydrogen bonds · protein-protein
  • E–F · 1546 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 1398 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 1004 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5YFP · Cryo-EM Structure of the Exocyst Complex · the same entry in another collection · chain H against H, TM-score 1.00
  • P32844 · AlphaFold monomer V2.0 prediction for exocyst complex component SEC6 (P32844) · a predicted model of the same protein · chain C against A, TM-score 0.78
  • P32855 · AlphaFold monomer V2.0 prediction for exocyst complex component SEC8 (P32855) · a predicted model of the same protein · chain D against A, TM-score 0.72
  • P89102 · AlphaFold monomer V2.0 prediction for exocyst complex component SEC5 (P89102) · a predicted model of the same protein · chain B against A, TM-score 0.69
  • P22224 · AlphaFold monomer V2.0 prediction for exocyst complex component SEC15 (P22224) · a predicted model of the same protein · chain F against A, TM-score 0.69

Analyse

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