GL1X · GenesisL1 explorer

MolNFT v1 · #29448 · protein

Mapping the E2 glycoprotein of alphaviruses

1Z8Y · Spike glycoprotein E1: “Mapping the E2 glycoprotein of alphaviruses”. Electron microscopy, 19 pockets (best druggability 0.61). MolNFT v1 #29448 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1Z8Y
Type
protein
Length
2,388 residues
Chains
20
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein E1; Spike glycoprotein E2; Capsid protein C
EC
3.4.21.-
UniProt
P03316, P11259
Pockets
19 · best druggability 0.61

Structure

electron microscopy · 5 distinct chains · 11% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GSpike glycoprotein E1protein2906% helix, 31% strandP03316
B, D, F, HSpike glycoprotein E1protein890% helix, 31% strandP03316
I, K, M, OSpike glycoprotein E1protein3126% helix, 0% strandP03316
J, L, N, PSpike glycoprotein E2protein3686% helix, 0% strandP11259
Q, R, S, TCapsid protein C (EC 3.4.21.-)protein1516% helix, 48% strandP03316

Pockets

19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.610.9325empty
2880.570.8619empty
32360.560.7841empty
41410.530.8127empty
5930.510.8322empty

Interfaces

19 interfaces between chains.

  • C–D · 566 Ų buried · 7 hydrogen bonds · protein-protein
  • E–F · 523 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 456 Ų buried · 9 hydrogen bonds · protein-protein
  • M–N · 408 Ų buried · 0 hydrogen bonds · protein-protein
  • K–L · 407 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide (disulfide).

Compared structures

  • 1Z8Y · Mapping the E2 Glycoprotein of Alphaviruses · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

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