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MolNFT v1 · #168000 · protein

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

6W2D · Major capsid protein: “Structures of capsid and capsid-associated tegument complex inside the epstein-barr virus”. Electron microscopy, 20 pockets (best druggability 0.87). MolNFT v1 #168000 on GenesisL1: 3D structure, binding sites…

PDB
6W2D
Type
protein
Length
9,430 residues
Chains
21
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 0.87

Structure

electron microscopy · 13 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
JMajor capsid proteinprotein135236% helix, 16% strandP03226
KMajor capsid proteinprotein138136% helix, 16% strandP03226
NMajor capsid proteinprotein136236% helix, 17% strandP03226
OMajor capsid proteinprotein133236% helix, 19% strandP03226
PMajor capsid proteinprotein128336% helix, 16% strandP03226
vCapsid vertex component 1protein29227% helix, 20% strandP03222
w, xCapsid vertex component 2protein6884% helix, 0% strandP03233
y, zLarge tegument protein deneddylase (EC 3.4.19.12, 3.4.22.-)protein3789% helix, 0% strandP03186
Z, a, d, eSmall capsomere-interacting proteinprotein7757% helix, 0% strandP14348
uSmall capsomere-interacting proteinprotein6352% helix, 0% strandP14348
fTriplex capsid protein 1protein31525% helix, 28% strandP03187
hTriplex capsid protein 1protein33624% helix, 27% strandP03187
k, m, p, rTriplex capsid protein 2protein29935% 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
16360.870.9188empty
210630.860.86106empty
310460.850.86103empty
46840.850.8995empty
57160.850.8986empty

Interfaces

47 interfaces between chains.

  • N–O · 6161 Ų buried · 57 hydrogen bonds · protein-protein
  • J–K · 6125 Ų buried · 62 hydrogen bonds · protein-protein
  • J–O · 5551 Ų buried · 53 hydrogen bonds · protein-protein
  • k–p · 3487 Ų buried · 16 hydrogen bonds · protein-protein
  • m–r · 3418 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6W2D · 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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