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Serial millisecond crystallography of membrane and soluble protein micro-crystals using synchrotron radiation

Analyse Serial millisecond crystallography of membrane and soluble protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UVK
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
5 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 78% 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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.620.8528CYC
25500.610.7440empty
31600.570.8228CYC
41370.430.7619empty
5540.370.8017empty

Interfaces

1 interface between chains.

  • A–B · 249 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5UVK · Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using… · the same entry in another collection · chain B against B, 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
  • 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 0.99

Analyse

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