ISDA: 9QS8

Deposition Date 2025-04-04

Release Date 2026-04-15

Last Version Date 2026-04-15

Entry Detail

PDB ID:

9QS8

Keywords:

OXIDOREDUCTASE

Title:

Crystal Structure of Mycobacterium smegmatis thioredoxin reductase in complex with Z2997505083

Biological Source:

Source Organism(s):

Mycolicibacterium smegmatis MC2 155 (Taxon ID: 246196)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.86 Å

R-Value Free:

0.24

R-Value Work:

0.20

R-Value Observed:

0.20

Space Group:

P 31 2 1

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Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Thioredoxin reductase
Chain IDs:A (auth: B)
Chain Length:319
Number of Molecules:1
Biological Source:Mycolicibacterium smegmatis MC2 155

Ligand Molecules

A1JAC

DMS

FAD

GOL

MLI

Primary Citation

Accessing Ultralarge Chemical Spaces via a Sociable Fragment Library: Design and Crystallographic Screening

Jannsen, P, Becker, F, Benz, L.S, Fuesser, F.T, Tolmachova, N, Matviiuk, T, Kondratov, I, Weiss, M.S, Kuemmel, D, Koch, O.Show

ChemRxiv ? ? ? (2025)

DOI: 10.26434/chemrxiv-2024-rpst3-v3

Primary Citation of related structures

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