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MolNFT v1 · #89821 · protein

Svqivyk segment from human tau (305-311) displayed on 54-membered macrocycle scaffold (form II)

4E0N · Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN): “Svqivyk segment from human tau (305-311) displayed on 54-membered macrocycle scaffold (form II)”. X-ray diffraction, 2 ligands (HAO, PO4). MolNFT v1 #89821 on GenesisL1: 3D…

PDB
4E0N
Type
protein
Length
52 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN)
Ligands
HAO, PO4

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DCyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN)protein130% helix, 23% strand—

Ligands and binding sites

  • HAO · {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo) acetic acid · ligand · 4 copies · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B, D
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, B, C, D

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

Interfaces

4 interfaces between chains.

  • A–B · 373 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 363 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 10 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 8 covalent (nonstandard, covalent ligand).

Compared structures

  • 4E0N · SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold… · the same entry in another collection · chain A against A, TM-score 1.00

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