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MolNFT v1 · #33862 · protein

Crystal structure of octameric ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE (rubisco) from pyrococcus horikoshii OT3 (form- 2 crystal)

2CXE · Ribulose bisphosphate carboxylase: “Crystal structure of octameric ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE (rubisco) from pyrococcus…”. X-ray diffraction, 19 pockets (best druggability 0.77). MolNFT v1 #33862 on GenesisL1…

PDB
2CXE
Type
protein
Length
1,664 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribulose bisphosphate carboxylase
EC
4.1.1.39
UniProt
O58677
Pockets
19 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRibulose bisphosphate carboxylase (EC 4.1.1.39)protein41641% helix, 17% strandO58677

Pockets

19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17510.770.8267empty
27760.770.8164empty
3600.740.9825empty
4620.730.9822empty
55490.640.7640empty

Interfaces

4 interfaces between chains.

  • B–C · 3611 Ų buried · 60 hydrogen bonds · protein-protein
  • C–D · 661 Ų buried · 21 hydrogen bonds · protein-protein
  • B–D · 437 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 428 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2CXE · Crystal structure of octameric ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco)… · the same entry in another collection · chain A against A, TM-score 1.00
  • O58677 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase (O58677) · a predicted model of the same protein · chain A against A, TM-score 0.97

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