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Caulobacter bacteriophage 5 - virus-like particle

Analyse Caulobacter bacteriophage 5 - virus-like particle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2W4Y
Type
protein
Length
366 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Caulobacter 5 virus-like particle
Ligands
AMP, CA
Pockets
5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCaulobacter 5 virus-like particleprotein12218% helix, 49% strand—

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 3 copies · chains A, C, B
  • CA · Calcium ion · metal · 4 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110650.730.76111AMP
23910.580.7546AMP
3630.310.7513empty
4610.300.7513empty
5550.270.7312empty

Interfaces

3 interfaces between chains.

  • A–C · 420 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 410 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 308 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2W4Y · Caulobacter bacteriophage 5 - virus-like particle · the same entry in another collection · chain A against A, TM-score 1.00

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