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Engineered protein targeting the zika viral envelope fusion loop

Analyse Engineered protein targeting the zika viral envelope fusion loop in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ZFM
Type
protein
Length
330 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidyl-prolyl cis-trans isomerase a
EC
5.2.1.8
UniProt
P0AFL3
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPeptidyl-prolyl cis-trans isomerase a (EC 5.2.1.8)protein16516% helix, 31% strandP0AFL3

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 17 copies · chains A, B
  • ACY · Acetic acid · additive · 3 copies · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B
  • SIN · Succinic acid · additive · 2 copies · chains A, B
  • P6G · Hexaethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14730.600.7555EDO, P6G, ACY, PGE
2500.360.8019ACY

Interfaces

1 interface between chains.

  • A–B · 842 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7ZFM · Engineered Protein Targeting the Zika Viral Envelope Fusion Loop · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AFL3 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase a (P0AFL3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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