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MolNFT v1 · #174301 · protein

Epstein-barr virus, C1 portal-proximal penton vertex, catc binding

7BR7 · Capsid vertex component 2: “Epstein-barr virus, C1 portal-proximal penton vertex, catc binding”. Electron microscopy, 20 pockets (best druggability 0.87). MolNFT v1 #174301 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7BR7
Type
protein
Length
9,263 residues
Chains
21
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid vertex component 2; Capsid vertex component 1; Large tegument protein deneddylase…
EC
3.4.19.12, 3.4.22.-
UniProt
P03233, P03222, P03186, P14348, P03226, P03187, P25214
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 18 distinct chains · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
KCapsid vertex component 2protein6869% helix, 3% strandP03233
GCapsid vertex component 2protein8456% helix, 4% strandP03233
CCapsid vertex component 1protein34629% helix, 20% strandP03222
BLarge tegument protein deneddylase (EC 3.4.19.12, 3.4.22.-)protein3580% helix, 0% strandP03186
OLarge tegument protein deneddylase (EC 3.4.19.12, 3.4.22.-)protein2990% helix, 0% strandP03186
mSmall capsomere-interacting proteinprotein7144% helix, 0% strandP14348
Y, Z, 2, ySmall capsomere-interacting proteinprotein7447% helix, 0% strandP14348
SMajor capsid proteinprotein132734% helix, 15% strandP03226
TMajor capsid proteinprotein130532% helix, 18% strandP03226
WMajor capsid proteinprotein133135% helix, 15% strandP03226
xMajor capsid proteinprotein132533% helix, 15% strandP03226
eTriplex capsid protein 1protein31925% helix, 29% strandP03187
fTriplex capsid protein 2protein29035% helix, 22% strandP25214
gTriplex capsid protein 2protein29031% helix, 17% strandP25214
lMajor capsid proteinprotein125035% helix, 16% strandP03226
5Triplex capsid protein 1protein31330% helix, 27% strandP03187
6Triplex capsid protein 2protein29734% helix, 19% strandP25214
7Triplex capsid protein 2protein28739% helix, 18% strandP25214

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110110.870.88110empty
28260.870.89101empty
37990.860.89136empty
49790.860.88123empty
58840.860.8877empty

Interfaces

60 interfaces between chains.

  • W–x · 6133 Ų buried · 69 hydrogen bonds · protein-protein
  • S–T · 5978 Ų buried · 65 hydrogen bonds · protein-protein
  • f–g · 3499 Ų buried · 29 hydrogen bonds · protein-protein
  • 6–7 · 3299 Ų buried · 25 hydrogen bonds · protein-protein
  • S–x · 2412 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 7BR7 · Epstein-Barr virus, C1 portal-proximal penton vertex, CATC binding · the same entry in another collection · chain K against K, TM-score 1.00

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