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Crystal structure of in cellulo recombinant CPV1 polyhedra

Analyse Crystal structure of in cellulo recombinant CPV1 polyhedra in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EXY
Type
protein
Length
247 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyhedrin
UniProt
P11041
Ligands
ACE, ATP, CTP, GTP, MG, CL
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyhedrinprotein24725% helix, 29% strandP11041

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • CTP · Cytidine-5'-triphosphate · ligand · chains A
  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11450.510.7922empty
21390.410.7527empty
3660.320.7520empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5EXY · Crystal structure of in cellulo recombinant CPV1 Polyhedra · the same entry in another collection · chain A against A, TM-score 1.00

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