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MolNFT v1 · #68024 · protein

Life in the extremes: atomic structure of sulfolobus turreted icosahedral virus

3J31 · A223 penton base: “Life in the extremes: atomic structure of sulfolobus turreted icosahedral virus”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #68024 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3J31
Type
protein
Length
5,768 residues
Chains
18
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
A223 penton base; A55 membrane protein; Coat protein; C381 turret protein
UniProt
Q6Q0L4, Q6Q0J0, Q6Q0L3
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 4 distinct chains · 7% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
QA223 penton baseprotein2200% helix, 62% strandQ6Q0L4
RA55 membrane proteinprotein150% helix, 80% strand—
A, B, C, D, E, F, G, H, I, J, K, L, M, N, OCoat proteinprotein34415% helix, 42% strandQ6Q0J0
PC381 turret proteinprotein3733% helix, 57% strandQ6Q0L3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110090.880.90128empty
28410.860.89122empty
33800.780.8756empty
43890.780.8766empty
58550.780.81103empty

Interfaces

33 interfaces between chains.

  • G–I · 915 Ų buried · 12 hydrogen bonds · protein-protein
  • D–F · 898 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 893 Ų buried · 13 hydrogen bonds · protein-protein
  • K–L · 884 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 872 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3J31 · Life in the extremes: atomic structure of Sulfolobus Turreted Icosahedral Virus · the same entry in another collection · chain Q against Q, TM-score 1.00

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