ISDA: 20YD

Deposition Date 2025-12-03

Release Date 2026-10-21

Last Version Date 2026-10-21

Entry Detail

PDB ID:

20YD

Keywords:

LIGASE

Title:

Crystal structure of Escherichia coli ThrRS complexing with obafluorin derived inhibitor OB-D4

Biological Source:

Source Organism(s):

Escherichia coli (strain K12) (Taxon ID: 83333)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.90 Å

R-Value Free:

0.30

R-Value Work:

0.25

R-Value Observed:

0.26

Space Group:

I 1 2 1

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Threonine--tRNA ligase
Gene (Uniprot):thrS
Chain IDs:A
Chain Length:410
Number of Molecules:1
Biological Source:Escherichia coli (strain K12)

UniProt ID:P0A8M3 EC:6.1.1.3

Ligand Molecules

A1E18

Primary Citation

Leveraging Protein Dynamics for Selective Inhibition of Threonyl-tRNA Synthetase by Obafluorin Analogs.

Wang, Z, Zhang, Z, Xia, M, Fang, M, Xu, H, Qiao, H, Ding, W, Huang, J, Li, G, Luo, K, Liu, W, Wang, J, Yu, B, Fang, P.Show

Angew.Chem.Int.Ed.Engl. ? e5509036 e5509036 (2026)

PMID: 42677972 DOI: 10.1002/anie.5509036

Primary Citation of related structures

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