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Non-covalent assembly of monoubiquitin that mimics K11 poly-ubiquitin

Analyse Non-covalent assembly of monoubiquitin that mimics K11 poly-ubiquitin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Z9S
Type
protein
Length
300 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-40S ribosomal protein S27A
UniProt
P62992
Ligands
SCN
Pockets
5 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DUbiquitin-40S ribosomal protein S27Aprotein7520% helix, 33% strandP62992

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 9 copies · chains A, D, B, C
  • MLA · Malonic acid · additive · 6 copies · chains A, D, 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
13750.550.7456SCN, MLA
2720.390.7914SCN
3830.390.7817MLA
4680.380.7916MLA
5500.370.8116SCN

Interfaces

4 interfaces between chains.

  • B–C · 312 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 299 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 279 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 277 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4Z9S · Non-covalent assembly of monoubiquitin that mimics K11 poly-ubiquitin · the same entry in another collection · chain A against A, TM-score 1.00
  • P62992 · AlphaFold monomer V2.0 prediction for ubiquitin-40S ribosomal protein S27A (P62992) · a predicted model of the same protein · chain A against A, TM-score 0.95

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