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Crystal structure of apocarotenoid cleavage oxygenase from synechocystis, fe-free apoenzyme

Analyse Crystal structure of apocarotenoid cleavage oxygenase from synechocystis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BIX
Type
protein
Length
958 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apocarotenoid-cleaving oxygenase
UniProt
P74334
Pockets
7 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BApocarotenoid-cleaving oxygenaseprotein4798% helix, 41% strandP74334

Ligands and binding sites

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110840.850.8675C8E
211940.840.8581C8E, GOL
34090.780.8741empty
44450.770.8637empty
51180.560.8317empty

Compared structures

  • 2BIX · Crystal structure of apocarotenoid cleavage oxygenase from Synechocystis, Fe-free… · the same entry in another collection · chain A against A, TM-score 1.00
  • P74334 · AlphaFold monomer V2.0 prediction for apocarotenoid-15,15'-oxygenase (P74334) · a predicted model of the same protein · chain A against A, TM-score 1.00

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