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2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9

Analyse 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DNK
Type
protein
Length
2,761 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
The light chain of 5G9 Fab fragment; The heavy chain of 5G9 Fab fragment; Major capsid…
UniProt
P26535
Pockets
20 · best druggability 0.91

Structure

electron microscopy · 5 distinct chains · 8% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LThe light chain of 5G9 Fab fragmentprotein2145% helix, 44% strand—
HThe heavy chain of 5G9 Fab fragmentprotein2143% helix, 43% strand—
B, C, EMajor capsid protein L1protein4729% helix, 27% strandP26535
AMajor capsid protein L1protein4639% helix, 27% strandP26535
DMajor capsid protein L1protein45410% helix, 27% strandP26535

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110050.910.94164empty
210440.910.93178empty
35880.890.94106empty
47030.840.88109empty
53600.830.9268empty

Interfaces

18 interfaces between chains.

  • A–E · 3504 Ų buried · 40 hydrogen bonds · protein-protein
  • B–C · 3297 Ų buried · 47 hydrogen bonds · protein-protein
  • C–D · 3179 Ų buried · 52 hydrogen bonds · protein-protein
  • D–E · 3035 Ų buried · 53 hydrogen bonds · protein-protein
  • B–A · 2975 Ų buried · 36 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7DNK · 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed… · the same entry in another collection · chain L against L, TM-score 1.00

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