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MolNFT v1 · #157375 · protein

Cryoem structure of chimeric eastern equine encephalitis virus with Fab of eeev-69 antibody

6MWX · E1: “Cryoem structure of chimeric eastern equine encephalitis virus with Fab of eeev-69 antibody”. Electron microscopy, 20 pockets (best druggability 0.86). MolNFT v1 #157375 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6MWX
Type
protein
Length
4,616 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E1; E2; Eeev-69 antibody heavy chain; Eeev-69 antibody light chain
UniProt
E9KXM2, E9KXL2, G0YP42
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 4 distinct chains · 4% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, E, I, ME1protein4003% helix, 29% strandE9KXM2
B, F, J, NE2protein3251% helix, 37% strandE9KXL2
C, G, K, OEeev-69 antibody heavy chainprotein2188% helix, 55% strand—
D, H, L, PEeev-69 antibody light chainprotein2116% helix, 55% strandG0YP42

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110530.860.87117empty
29540.830.8585empty
39170.830.8579empty
43780.750.8658empty
53810.750.8663empty

Interfaces

25 interfaces between chains.

  • A–B · 2634 Ų buried · 35 hydrogen bonds · protein-protein
  • E–F · 2632 Ų buried · 36 hydrogen bonds · protein-protein
  • I–J · 2625 Ų buried · 35 hydrogen bonds · protein-protein
  • M–N · 2619 Ų buried · 34 hydrogen bonds · protein-protein
  • O–P · 1863 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 72 disulfide, 1 isopeptide (disulfide, isopeptide).

Compared structures

  • 6MWX · CryoEM structure of Chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-69… · the same entry in another collection · chain A against A, TM-score 1.00

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