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Structure of the orange carotenoid protein from planktothrix agardhii binding echinenone in the P21 space group

Analyse Structure of the orange carotenoid protein from planktothrix agardhii binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7QD1
Type
protein
Length
621 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Orange carotenoid-binding protein
UniProt
A0A1J1JHR9
Ligands
ECH
Pockets
8 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrange carotenoid-binding proteinprotein31147% helix, 17% strandA0A1J1JHR9
COrange carotenoid-binding proteinprotein31046% helix, 17% strandA0A1J1JHR9

Ligands and binding sites

  • ECH · beta,beta-caroten-4-one · ligand · 2 copies · chains A, C

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15360.870.9258ECH
27150.860.8981ECH
31370.750.9428empty
41180.740.9426empty
5660.370.7819empty

Interfaces

1 interface between chains.

  • A–C · 1205 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 7QD1 · Structure of the orange carotenoid protein from Planktothrix agardhii binding echine in… · the same entry in another collection · chain A against A, TM-score 1.00

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