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Solid-state phase transition in the crystal structure of ribulose 1,5- biphosphate CARBOXYLASE(SLASH)OXYGENASE

Analyse Solid-state phase transition in the crystal structure of ribulose 1,5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RLD
Type
protein
Length
1,128 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribulose 1,5 bisphosphate CARBOXYLASE/OXYGENASE (large chain); Ribulose 1,5 bisphosphate…
EC
4.1.1.39
UniProt
P00876, P69249
Pockets
14 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibulose 1,5 bisphosphate CARBOXYLASE/OXYGENASE (large chain) (EC 4.1.1.39)protein44143% helix, 19% strandP00876
S, TRibulose 1,5 bisphosphate CARBOXYLASE/OXYGENASE (small chain) (EC 4.1.1.39)protein12323% helix, 24% strandP69249

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19400.770.8077empty
28380.740.7975empty
3750.740.9822empty
4690.730.9820empty
5530.730.9920empty

Interfaces

3 interfaces between chains.

  • A–B · 3220 Ų buried · 64 hydrogen bonds · protein-protein
  • B–T · 1853 Ų buried · 27 hydrogen bonds · protein-protein
  • A–S · 1851 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1RLD · Solid-state phase transition in the crystal structure of ribulose 1,5-biphosphate… · the same entry in another collection · chain A against A, 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 0.98
  • P00876 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase large chain… · a predicted model of the same protein · chain A against A, TM-score 0.98

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