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Rubisco / CsoS2 N-peptide complex responsible for alpha-carboxysome cargo loading

Analyse Rubisco / CsoS2 N-peptide complex responsible for alpha-carboxysome cargo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UEW
Type
protein
Length
2,228 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.4
Source
Halothiobacillus neapolitanus (strain ATCC 23641 / c2); Halothiobacillus…
Molecule
Ribulose bisphosphate carboxylase large chain, CsoS2 N-peptide fusion; Ribulose…
EC
4.1.1.39
UniProt
O85040, P45686
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · resolution 2.4 · 8 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibulose bisphosphate carboxylase large chain, CsoS2 N-peptide fusion (EC 4.1.1.39)protein45346% helix, 19% strandO85040
BRibulose bisphosphate carboxylase small chain (EC 4.1.1.39)protein10429% helix, 27% strandP45686
CRibulose bisphosphate carboxylase large chain, CsoS2 N-peptide fusion (EC 4.1.1.39)protein45545% helix, 19% strandO85040
DRibulose bisphosphate carboxylase small chain (EC 4.1.1.39)protein10628% helix, 25% strandP45686
ERibulose bisphosphate carboxylase large chain, CsoS2 N-peptide fusion (EC 4.1.1.39)protein45046% helix, 18% strandO85040
FRibulose bisphosphate carboxylase small chain (EC 4.1.1.39)protein10528% helix, 26% strandP45686
GRibulose bisphosphate carboxylase large chain, CsoS2 N-peptide fusion (EC 4.1.1.39)protein45446% helix, 19% strandO85040
HRibulose bisphosphate carboxylase small chain (EC 4.1.1.39)protein10130% helix, 25% strandP45686

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111700.860.87147empty
28920.840.86101empty
37860.810.8497empty
4880.750.9832empty
53280.680.8250empty

Interfaces

17 interfaces between chains.

  • A–E · 3364 Ų buried · 48 hydrogen bonds · protein-protein
  • C–D · 1783 Ų buried · 21 hydrogen bonds · protein-protein
  • E–F · 1772 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 1694 Ų buried · 22 hydrogen bonds · protein-protein
  • G–H · 1691 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 6UEW · Rubisco / CSOS2 N-peptide complex responsible for alpha-carboxysome cargo loading · the same entry in another collection · chain H against H, TM-score 1.00
  • P45686 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase small subunit… · a predicted model of the same protein · chain B against A, TM-score 0.98

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