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Hbc-F97L (premature secretion phenotype) in complex with triton X-100

Analyse Hbc-F97L (premature secretion phenotype) in complex with triton X-100 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PZI
Type
protein
Length
572 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein
UniProt
P03146
Ligands
TRT
Pockets
8 · best druggability 0.78

Structure

electron microscopy · 1 distinct chain · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, A, C, DCapsid proteinprotein14369% helix, 0% strandP03146

Ligands and binding sites

  • TRT · Fragment of triton X-100 · ligand · 4 copies · chains B, A, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11690.780.9428empty
21840.710.8824TRT
31810.710.8821TRT
42010.700.8725TRT
51880.690.8725TRT

Interfaces

4 interfaces between chains.

  • B–A · 2053 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 2009 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 686 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 11 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7PZI · HBc-F97L (premature secretion phenotype) in complex with Triton X-100 · the same entry in another collection · chain B against B, TM-score 1.00

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