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MolNFT v1 · #94535 · protein

Neutralizing antibody MAB#8 in complex with the epitope II of HCV E2 envelope protein

4HZL · Fab heavy chain: “Neutralizing antibody MAB#8 in complex with the epitope II of HCV E2 envelope protein”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #94535 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4HZL
Type
protein
Length
894 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab heavy chain; Fab light chain; E2 envelop protein
UniProt
F5BWY6
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
H, AFab heavy chainprotein2179% helix, 51% strand—
L, BFab light chainprotein2177% helix, 51% strand—
E, FE2 envelop proteinprotein1338% helix, 0% strandF5BWY6

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19720.760.7893empty
29210.750.7979empty
34140.670.8062empty
42670.590.7934empty
5530.570.9024empty

Interfaces

10 interfaces between chains.

  • H–L · 1688 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1677 Ų buried · 15 hydrogen bonds · protein-protein
  • A–F · 618 Ų buried · 20 hydrogen bonds · protein-protein
  • H–E · 615 Ų buried · 17 hydrogen bonds · protein-protein
  • L–A · 531 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 4HZL · Neutralizing antibody mAb#8 in complex with the Epitope II of HCV E2 envelope protein · the same entry in another collection · chain H against H, TM-score 1.00

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