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MolNFT v1 · #33131 · protein

Escrt-I core

2CAZ · Suppressor protein STP22 of temperature-sensitive alpha…: “Escrt-I core”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #33131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2CAZ
Type
protein
Length
436 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Suppressor protein STP22 of temperature-sensitive alpha- factor receptor and arginine…
UniProt
P25604, Q02767, Q99176
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 6 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuppressor protein STP22 of temperature-sensitive alpha- factor receptor and arginine permeaseprotein5884% helix, 0% strandP25604
BVacuolar protein sorting-associated protein VPS28protein10065% helix, 0% strandQ02767
CProtein SRN2protein6484% helix, 0% strandQ99176
DSuppressor protein STP22 of temperature-sensitive alpha- factor receptor and arginine permeaseprotein6082% helix, 0% strandP25604
EVacuolar protein sorting-associated protein VPS28protein10160% helix, 0% strandQ02767
FProtein SRN2protein5381% helix, 0% strandQ99176

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18460.750.7972empty
21470.530.8022empty
3700.510.8512empty
4590.500.8519empty
51100.450.7815empty

Interfaces

9 interfaces between chains.

  • D–E · 1275 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1248 Ų buried · 7 hydrogen bonds · protein-protein
  • D–F · 904 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 872 Ų buried · 6 hydrogen bonds · protein-protein
  • B–E · 650 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 2CAZ · ESCRT-I core · the same entry in another collection · chain F against F, TM-score 1.00
  • Q02767 · AlphaFold monomer V2.0 prediction for vacuolar protein sorting- associated protein 28… · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P25604 · AlphaFold monomer V2.0 prediction for suppressor protein STP22 of temperature-sensitive… · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q99176 · AlphaFold monomer V2.0 prediction for protein SRN2 (Q99176) · a predicted model of the same protein · chain F against A, TM-score 0.89

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