8UDH | pdb_00008udh

Crystal Structure of Mu class Glutathione-S-Transferase TuGSTm06(Tetur05g05220) in complex with reaction product

PDB DOI: https://doi.org/10.2210/pdb8UDH/pdb

Classification: TRANSFERASE/PRODUCT
Organism(s): Tetranychus urticae
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2023-09-28 Released: 2025-03-19
Deposition Author(s): Khatri, K., Arriaza, R.H., Chruszcz, M.
Funding Organization(s): National Institute of Food and Agriculture (NIFA, United States)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.05 ?
R-Value Free:
0.193 (Depositor), 0.203 (DCC)
R-Value Work:
0.172 (Depositor), 0.180 (DCC)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Crystal Structure of Mu class Glutathione-S-Transferase TuGSTm06(Tetur05g05220) in complex with reaction product

Khatri, K., Arriaza, R.H., Chruszcz, M.

To be published.

Macromolecule Content

Total Structure Weight: 54.6 kDa
Atom Count: 4,101
Modelled Residue Count: 446
Deposited Residue Count: 450
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Glutathione-S-Transferase	A, B	225	Tetranychus urticae	Mutation(s): 0 Gene Names: 107360789 EC: 2.5.1.18
UniProt
Find proteins for T1K569 (Tetranychus urticae) Explore T1K569 Go to UniProtKB: T1K569
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	T1K569
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
WK6 (Subject of Investigation/LOI) Query on WK6 Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain F [auth B] SDF format, chain H [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain F [auth B] MOL2 format, chain H [auth B] mmCIF format, chain C [auth A] mmCIF format, chain D [auth A] mmCIF format, chain F [auth B] mmCIF format, chain H [auth B]	C [auth A], D [auth A], F [auth B], H [auth B]	L-gamma-glutamyl-S-(benzylcarbamothioyl)-L-cysteinylglycine C₁₈ H₂₄ N₄ O₆ S₂ MGUPJNNTVYXHBZ-QWHCGFSZSA-N		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain F [auth B] Focus chain H [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain F [auth B] Focus chain H [auth B]
MLI Query on MLI Download Ideal Coordinates CCD File SDF format, chain G [auth B] SDF format, chain I [auth B] SDF format, chain E [auth A] SDF format, chain J [auth B] MOL2 format, chain G [auth B] MOL2 format, chain I [auth B] MOL2 format, chain E [auth A] MOL2 format, chain J [auth B] mmCIF format, chain G [auth B] mmCIF format, chain I [auth B] mmCIF format, chain E [auth A] mmCIF format, chain J [auth B]	E [auth A], G [auth B], I [auth B], J [auth B]	MALONATE ION C₃ H₂ O₄ OFOBLEOULBTSOW-UHFFFAOYSA-L		Interactions Focus chain E [auth A] Focus chain G [auth B] Focus chain I [auth B] Focus chain J [auth B] Interactions & Density Focus chain E [auth A] Focus chain G [auth B] Focus chain I [auth B] Focus chain J [auth B]