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MolNFT v1 · #106513 · protein

Structure of uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K

4S1K: “Structure of uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K”. X-ray diffraction, 2 ligands (ATP, MG), 2 pockets (best druggability 0.36). MolNFT v1 #106513 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4S1K
Type
protein
Length
236 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyhedrin
UniProt
Q5EK29
Ligands
ATP, MG
Pockets
2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyhedrinprotein23628% helix, 28% strandQ5EK29

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.360.7712empty
2720.320.7419empty

Compared structures

  • 4S1K · Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K · the same entry in another collection · chain A against A, TM-score 1.00

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