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MolNFT v1 · #168001 · protein

Structures of capsid and capsid-associated tegument complex inside the epstein-barr virus

6W2E · Major capsid protein: “Structures of capsid and capsid-associated tegument complex inside the epstein-barr virus”. Electron microscopy, 20 pockets (best druggability 0.86). MolNFT v1 #168001 on GenesisL1: 3D structure, binding sites…

PDB
6W2E
Type
protein
Length
7,943 residues
Chains
19
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major capsid protein; Capsid vertex component 1; Capsid vertex component 2; Large…
EC
3.4.19.12, 3.4.22.-
UniProt
P03226, P03222, P03233, P03186, P14348, P03187, P25214
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 11 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
JMajor capsid proteinprotein130535% helix, 17% strandP03226
KMajor capsid proteinprotein138136% helix, 16% strandP03226
NMajor capsid proteinprotein136236% helix, 17% strandP03226
OMajor capsid proteinprotein129937% helix, 18% strandP03226
vCapsid vertex component 1protein29331% helix, 23% strandP03222
w, xCapsid vertex component 2protein6884% helix, 0% strandP03233
y, zLarge tegument protein deneddylase (EC 3.4.19.12, 3.4.22.-)protein3792% helix, 0% strandP03186
Z, a, d, eSmall capsomere-interacting proteinprotein7761% helix, 0% strandP14348
fTriplex capsid protein 1protein25322% helix, 36% strandP03187
hTriplex capsid protein 1protein33624% helix, 26% strandP03187
k, m, p, rTriplex capsid protein 2protein29939% helix, 20% strandP25214

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19670.860.88124empty
27110.860.9094empty
310650.850.86118empty
49760.850.86110empty
511740.840.85135empty

Interfaces

42 interfaces between chains.

  • N–O · 6235 Ų buried · 58 hydrogen bonds · protein-protein
  • J–K · 6038 Ų buried · 61 hydrogen bonds · protein-protein
  • J–O · 5111 Ų buried · 45 hydrogen bonds · protein-protein
  • k–p · 3462 Ų buried · 17 hydrogen bonds · protein-protein
  • m–r · 3427 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6W2E · Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus · the same entry in another collection · chain J against J, TM-score 1.00

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