9DE4 image
Deposition Date 2024-08-28
Release Date 2025-09-03
Last Version Date 2026-03-25
Entry Detail
PDB ID:
9DE4
Keywords:
DE NOVO PROTEIN
Title:
Er-Bound Structure of Computationally Designed Homotetramer PW1
Biological Source:
Source Organism(s):
synthetic construct (Taxon ID: 32630)
Expression System(s):
Escherichia coli bl21(de3)
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
2.00 Å
R-Value Free:
0.24
R-Value Work:
0.19
R-Value Observed:
0.20
Space Group:
I 4
9DE4 validation report
Macromolecular Entities
Polymer Type:polypeptide(L)
Molecule:Computationally designed PW1
Chain IDs:A
Chain Length:111
Number of Molecules:1
Biological Source:synthetic construct
Ligand Molecules
CL
ER3
Primary Citation
De Novo Design of a Metalloprotein with a Synthetically Inspired Dinuclear Paddlewheel Coordination Motif.
J.Am.Chem.Soc. 147 40788 40798 (2025)
PMID: 41143657 DOI: 10.1021/jacs.5c13813
Primary Citation of related structures
9DE4
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