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Crystal structure and light induced structural changes in orange carotenoid protein bound with echinenone

Analyse Crystal structure and light induced structural changes in orange carotenoid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5TUX
Type
protein
Length
305 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Orange carotenoid-binding protein
UniProt
P74102
Ligands
ECH
Pockets
3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrange carotenoid-binding proteinprotein30548% helix, 18% strandP74102

Ligands and binding sites

  • ECH · beta,beta-caroten-4-one · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16220.850.8966ECH
2600.340.7714GOL
3580.300.7516empty

Compared structures

  • 5TUX · crystal structure and light induced structural changes in orange carotenoid protein bound… · the same entry in another collection · chain A against A, TM-score 1.00
  • P74102 · AlphaFold monomer V2.0 prediction for orange carotenoid-binding protein (P74102) · a predicted model of the same protein · chain A against A, TM-score 1.00

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