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MolNFT v1 · #151783 · protein

Atomic models of P1, P4 C-terminal fragment and P8 fitted in the bacteriophage PHI6 nucleocapsid reconstructed with icosahedral symmetry

6HY0 · Major inner protein P1: “Atomic models of P1, P4 C-terminal fragment and P8 fitted in the bacteriophage PHI6 nucleocapsid…”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #151783 on GenesisL1: 3D structure…

PDB
6HY0
Type
protein
Length
3,051 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major inner protein P1; Packaging enzyme P4; Major outer capsid protein P8
UniProt
P11126, P11125, P07579
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 50% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMajor inner protein P1protein76647% helix, 13% strandP11126
CPackaging enzyme P4protein3910% helix, 5% strandP11125
D, E, F, G, H, I, J, K, L, MMajor outer capsid protein P8protein14875% helix, 0% strandP07579

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19020.850.87104empty
29220.830.8497empty
33120.800.9046empty
45730.780.8480empty
54460.740.8467empty

Interfaces

33 interfaces between chains.

  • B–C · 1711 Ų buried · 17 hydrogen bonds · protein-protein
  • K–M · 1472 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1353 Ų buried · 10 hydrogen bonds · protein-protein
  • F–G · 1031 Ų buried · 10 hydrogen bonds · protein-protein
  • L–M · 1020 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6HY0 · Atomic models of P1, P4 C-terminal fragment and P8 fitted in the bacteriophage phi6… · the same entry in another collection · chain A against A, TM-score 1.00

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