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MolNFT v1 · #38412 · protein

Structure of a USP8-NRDP1 complex

2GWF · Ubiquitin carboxyl-terminal hydrolase 8: “Structure of a USP8-NRDP1 complex”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #38412 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2GWF
Type
protein
Length
776 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin carboxyl-terminal hydrolase 8; Ring finger protein 41
EC
3.1.2.15, 6.3.2.-
UniProt
P40818, Q9H4P4
Pockets
8 · best druggability 0.85

Structure

x-ray diffraction · 6 distinct chains · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin carboxyl-terminal hydrolase 8 (EC 3.1.2.15)protein13641% helix, 14% strandP40818
BRing finger protein 41 (EC 6.3.2.-)protein12144% helix, 18% strandQ9H4P4
CUbiquitin carboxyl-terminal hydrolase 8 (EC 3.1.2.15)protein13441% helix, 14% strandP40818
DRing finger protein 41 (EC 6.3.2.-)protein12643% helix, 17% strandQ9H4P4
EUbiquitin carboxyl-terminal hydrolase 8 (EC 3.1.2.15)protein13741% helix, 14% strandP40818
FRing finger protein 41 (EC 6.3.2.-)protein12243% helix, 19% strandQ9H4P4

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18850.850.87105empty
24030.640.7833empty
31470.630.8625empty
43030.580.7747empty
51460.520.8026empty

Interfaces

11 interfaces between chains.

  • E–F · 519 Ų buried · 14 hydrogen bonds · protein-protein
  • A–E · 504 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 501 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 493 Ų buried · 13 hydrogen bonds · protein-protein
  • C–F · 422 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2GWF · Structure of a USP8-NRDP1 complex · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9H4P4 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase NRDP1 (Q9H4P4) · a predicted model of the same protein · chain D against A, TM-score 0.98
  • P40818 · AlphaFold monomer V2.0 prediction for ubiquitin carboxyl-terminal hydrolase 8 (P40818) · a predicted model of the same protein · chain C against A, TM-score 0.97

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