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MolNFT v1 · #30107 · protein

Structure of the uncleaved paramyxovirus (HPIV3) fusion protein

1ZTM · Fusion glycoprotein: “Structure of the uncleaved paramyxovirus (HPIV3) fusion protein”. X-ray diffraction, 1 ligand (NAG), 14 pockets (best druggability 0.68). MolNFT v1 #30107 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1ZTM
Type
protein
Length
1,258 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion glycoprotein
UniProt
P06828
Ligands
NAG
Pockets
14 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion glycoproteinprotein41638% helix, 25% strandP06828
BFusion glycoproteinprotein41837% helix, 26% strandP06828
CFusion glycoproteinprotein42438% helix, 25% strandP06828

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16670.680.7778empty
25320.680.7858empty
36110.670.7763empty
4770.650.9318empty
53530.640.7956empty

Interfaces

3 interfaces between chains.

  • A–B · 5604 Ų buried · 55 hydrogen bonds · protein-protein
  • B–C · 5591 Ų buried · 57 hydrogen bonds · protein-protein
  • A–C · 5493 Ų buried · 51 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 1ZTM · Structure of the Uncleaved Paramyxovirus (hPIV3) Fusion Protein · the same entry in another collection · chain A against A, TM-score 1.00

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