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Crystal structure of unactivated tobacco rubisco with bound phosphate ions

Analyse Crystal structure of unactivated tobacco rubisco with bound phosphate ions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1EJ7
Type
protein
Length
580 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rubisco (large subunit); Rubisco (small subunit)
EC
4.1.1.39
UniProt
P00876, P69249
Ligands
PO4
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LRubisco (large subunit) (EC 4.1.1.39)protein45745% helix, 17% strandP00876
SRubisco (small subunit) (EC 4.1.1.39)protein12323% helix, 24% strandP69249

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 3 copies · chains L

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.740.9819empty
22470.510.7635PO4
31340.510.8033empty
41250.430.7727empty
5710.310.7523PO4

Interfaces

1 interface between chains.

  • L–S · 1884 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 1EJ7 · Crystal structure of unactivated tobacco rubisco with bound phosphate ions · the same entry in another collection · chain L against L, TM-score 1.00
  • P69249 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase small subunit… · a predicted model of the same protein · chain S against A, TM-score 0.99
  • P00876 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase large chain… · a predicted model of the same protein · chain L against A, TM-score 0.96

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