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Structure of the photoacclimated light harvesting complex PC577 from hemiselmis pacifica

Analyse Structure of the photoacclimated light harvesting complex PC577 from hemiselmis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7S97
Type
protein
Length
478 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phycoerythrin alpha subunit 1; Phycoerythrin beta subunit
UniProt
A0A067XP79, A0A067XP89
Ligands
CYC, DBV
Pockets
6 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CPhycoerythrin alpha subunit 1protein6321% helix, 29% strandA0A067XP79
B, DPhycoerythrin beta subunitprotein17672% helix, 2% strandA0A067XP89

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 6 copies · chains A, B, C, D
  • DBV · 15,16-dihydrobiliverdin · ligand · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19970.780.80109CYC, DBV
24170.700.8259CYC
32120.660.8537CYC
42220.630.8231CYC
5510.360.7916empty

Interfaces

5 interfaces between chains.

  • A–B · 1941 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1931 Ų buried · 18 hydrogen bonds · protein-protein
  • A–D · 344 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 340 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 121 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 cofactor, 4 covalent (phycocyanobilin attachment, covalent ligand).

Compared structures

  • 7S97 · Structure of the Photoacclimated Light Harvesting Complex PC577 from Hemiselmis pacifica · the same entry in another collection · chain B against B, TM-score 1.00

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