5O00

Ure2p5 from Phanerochaete chrysosporium cocrystallized with 1-(S-glutathionyl)-2,4-dinitrobenzene.

PDB DOI: https://doi.org/10.2210/pdb5O00/pdb

Classification: TRANSFERASE
Organism(s): Phanerodontia chrysosporium
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2017-05-15 Released: 2017-05-24
Deposition Author(s): Roret, T., Didierjean, C.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.03 ?
R-Value Free: 0.177
R-Value Work: 0.158
R-Value Observed: 0.159

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Ure2p5 from Phanerochaete chrysosporium cocrystallized with 1-(S-glutathionyl)-2,4-dinitrobenzene.

Roret, T., Didierjean, C.

To be published.

Macromolecule Content

Total Structure Weight: 28.16 kDa
Atom Count: 2,048
Modelled Residue Count: 220
Deposited Residue Count: 229
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Glutathione transferase Ure2p5	A	229	Phanerodontia chrysosporium	Mutation(s): 0
UniProt
Find proteins for I7B368 (Phanerodontia chrysosporium) Explore I7B368 Go to UniProtKB: I7B368
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	I7B368
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
GDS Query on GDS Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	OXIDIZED GLUTATHIONE DISULFIDE C₂₀ H₃₂ N₆ O₁₂ S₂ YPZRWBKMTBYPTK-BJDJZHNGSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
NIN Query on NIN Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	DINITROPHENYLENE C₆ H₄ N₂ O₄ WDCYWAQPCXBPJA-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain M [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain M [auth A] mmCIF format, chain D [auth A] mmCIF format, chain E [auth A] mmCIF format, chain F [auth A] mmCIF format, chain G [auth A] mmCIF format, chain M [auth A]	D [auth A], E [auth A], F [auth A], G [auth A], M [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain M [auth A] Interactions & Density Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain M [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain L [auth A] MOL2 format, chain H [auth A] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain L [auth A] mmCIF format, chain H [auth A] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain L [auth A]	H [auth A], I [auth A], J [auth A], K [auth A], L [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain H [auth A] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Interactions & Density Focus chain H [auth A] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A]