ISDA: 9TAR

Deposition Date 2025-11-18

Release Date 2026-03-25

Last Version Date 2026-03-25

Entry Detail

PDB ID:

9TAR

Keywords:

DE NOVO PROTEIN

Title:

De novo photoenzyme variant ABLE-E116C-TXT H49A-L42T (photoABLE1 precursor) in complex with product formed in crystallo after irradiation

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:

1.50 Å

R-Value Free:

0.21

R-Value Work:

0.17

R-Value Observed:

0.17

Space Group:

P 1 21 1

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:De novo photoenzyme variant A
Mutagens:E116C,H49A,L42T
Chain IDs:A, B
Chain Length:126
Number of Molecules:2
Biological Source:synthetic construct

Ligand Molecules

A1JUW

A1JUX

EDO

GOL

PGE

Primary Citation

Enantiodivergent Evolution of a De Novo Protein for Enzymatic [2 + 2] Photocycloaddition Activity

Boesen, B, Heider, A, O’Shea, J.M, Groll, M, Bach, T, Zeymer, C.Show

ACS Catal. ? ? ? (2026)

DOI: 10.1021/acscatal.5c08946

Primary Citation of related structures

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