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Crystal structure of the authentic flock house virus particle

Analyse Crystal structure of the authentic flock house virus particle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4FTB
Type
protein + RNA
Length
1,016 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein beta; Capsid protein gamma; Flock house virus genomic RNA
EC
3.4.23.44
UniProt
P12870
Ligands
CA, CL
Pockets
8 · best druggability 0.85

Structure

x-ray diffraction · 7 distinct chains · 18% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsid protein beta (EC 3.4.23.44)protein32115% helix, 38% strandP12870
DCapsid protein gammaprotein2162% helix, 0% strandP12870
BCapsid protein beta (EC 3.4.23.44)protein31115% helix, 39% strandP12870
ECapsid protein gammaprotein1963% helix, 0% strandP12870
CCapsid protein beta (EC 3.4.23.44)protein30916% helix, 39% strandP12870
FCapsid protein gammaprotein2075% helix, 0% strandP12870
RFlock house virus genomic RNArna15——

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, C, B
  • CL · Chloride ion · ion · chains B
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A, C, B

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
110380.850.8759empty
22550.810.9329empty
32980.790.9033empty
42720.750.8828empty
52610.750.8829empty

Interfaces

11 interfaces between chains.

  • A–B · 2089 Ų buried · 27 hydrogen bonds · protein-protein
  • B–C · 1766 Ų buried · 25 hydrogen bonds · protein-protein
  • A–C · 1762 Ų buried · 25 hydrogen bonds · protein-protein
  • B–E · 790 Ų buried · 4 hydrogen bonds · protein-protein
  • C–F · 740 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4FTB · Crystal structure of the authentic Flock House virus particle · the same entry in another collection · chain A against A, TM-score 1.00

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