ISDA: 9PPU

Deposition Date 2025-07-21

Release Date 2026-04-22

Last Version Date 2026-04-29

Entry Detail

PDB ID:

9PPU

Keywords:

DE NOVO PROTEIN

Title:

Beta-sandwich forming metallopeptide

Biological Source:

Source Organism(s):

synthetic construct (Taxon ID: 32630)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.49 Å

R-Value Free:

0.19

R-Value Work:

0.15

R-Value Observed:

0.15

Space Group:

P 41 21 2

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Macromolecular Entities

Protein Blast

Polymer Type:polypeptide(L)
Molecule:De novo designed metallopepti
Chain IDs:B (auth: A)
Chain Length:12
Number of Molecules:1
Biological Source:synthetic construct

Protein Blast

Polymer Type:polypeptide(L)
Molecule:De novo designed metallopepti
Chain IDs:A (auth: B)
Chain Length:12
Number of Molecules:1
Biological Source:synthetic construct

Ligand Molecules

ACA

FMT

Primary Citation

A bis-macrocylic peptide ligand mimicking the beta-sandwich active site of multicopper oxidases.

Dang, V.T, Drena, A, Telser, J, Wofford, L, Nguyen, A.I.Show

Dalton Trans 55 5877 5881 (2026)

PMID: 41969027 DOI: 10.1039/d6dt00494f

Abstact

The active site of multicopper oxidases contains three Cu ions coordinated to a beta-sandwich motif. Here, we designed a small peptide ligand that closely mimics the beta-sandwich. We verified the sandwich architecture by X-ray crystallography, showing its high resemblance to the active site and ability to coordinate two Cu(II) ions.

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Disease

Primary Citation of related structures

Abstact

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