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Crystal structure of native phycocyanin from T. elongatus in spacegroup P63 at 1.8 ångströms

Analyse Crystal structure of native phycocyanin from T. elongatus in spacegroup P63 at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YQ8
Type
protein
Length
334 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-phycocyanin alpha chain; C-phycocyanin beta chain
UniProt
P50032, P50033
Ligands
CYC
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC-phycocyanin alpha chainprotein16278% helix, 0% strandP50032
BC-phycocyanin beta chainprotein17277% helix, 0% strandP50033

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
  • PGE · Triethylene glycol · additive · 4 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.620.8822CYC
21750.560.8030CYC

Interfaces

1 interface between chains.

  • A–B · 1616 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 cofactor, 1 modified (phycocyanobilin attachment, nonstandard).

Compared structures

  • 6YQ8 · Crystal structure of native Phycocyanin from T. elongatus in spacegroup P63 at 1.8… · the same entry in another collection · chain A against A, TM-score 1.00
  • P50033 · AlphaFold monomer V2.0 prediction for C-phycocyanin beta subunit (P50033) · a predicted model of the same protein · chain B against A, TM-score 1.00
  • P50032 · AlphaFold monomer V2.0 prediction for C-phycocyanin alpha subunit (P50032) · a predicted model of the same protein · chain A against A, TM-score 0.99

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