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MolNFT v1 · #135629 · protein

Protein-protein complex between 26S proteasome regulatory subunit RPN8, RPN11, and ubiquitin S31

5U4P: “Protein-protein complex between 26S proteasome regulatory subunit RPN8, RPN11, and ubiquitin S31”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.77). MolNFT v1 #135629 on GenesisL1: 3D structure, binding sites and…

PDB
5U4P
Type
protein
Length
412 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
26S proteasome regulatory subunit RPN8; 26S proteasome regulatory subunit RPN11…
EC
3.4.19.12
UniProt
Q08723, P43588, P05759
Ligands
ZN
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A26S proteasome regulatory subunit RPN8protein17725% helix, 33% strandQ08723
B26S proteasome regulatory subunit RPN11 (EC 3.4.19.12)protein15929% helix, 36% strandP43588
CUbiquitin-40S ribosomal protein S31protein7625% helix, 37% strandP05759

Ligands and binding sites

  • ZN · Zinc ion · metal · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14280.770.8660empty
21480.480.7821empty
3620.370.7915empty
4610.360.7917empty
5640.340.7723empty

Interfaces

2 interfaces between chains.

  • A–B · 2004 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 1158 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 5U4P · Protein-protein complex between 26S proteasome regulatory subunit RPN8, RPN11, and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q08723 · AlphaFold monomer V2.0 prediction for 26S proteasome regulatory subunit RPN8 (Q08723) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P43588 · AlphaFold monomer V2.0 prediction for ubiquitin carboxyl-terminal hydrolase RPN11 (P43588) · a predicted model of the same protein · chain B against A, TM-score 0.94

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