4LA1

Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD

PDB DOI: https://doi.org/10.2210/pdb4LA1/pdb

Classification: OXIDOREDUCTASE
Organism(s): Schistosoma japonicum
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2013-06-18 Released: 2014-07-30
Deposition Author(s): Peng, Y., Wu, Q., Huang, F., Chen, J., Li, X., Zhou, X., Fan, X.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.234
R-Value Work: 0.171
R-Value Observed: 0.173

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal structure of SjTGR complex with FAD

Peng, Y., Wu, Q., Huang, F., Chen, J., Li, X., Zhou, X., Fan, X.

To be published.

Macromolecule Content

Total Structure Weight: 133.23 kDa
Atom Count: 9,703
Modelled Residue Count: 1,172
Deposited Residue Count: 1,204
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Thioredoxin glutathione reductase	A, B	602	Schistosoma japonicum	Mutation(s): 0 Gene Names: TGR EC: 1.6.4.5
UniProt
Find proteins for B5THG7 (Schistosoma japonicum) Explore B5THG7 Go to UniProtKB: B5THG7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	B5THG7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FAD Query on FAD Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth B]	C [auth A], D [auth B]	FLAVIN-ADENINE DINUCLEOTIDE C₂₇ H₃₃ N₉ O₁₅ P₂ VWWQXMAJTJZDQX-UYBVJOGSSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.234
R-Value Work: 0.171
R-Value Observed: 0.173
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 84.185	α = 90
b = 86.47	β = 90
c = 183.164	γ = 90

Software Package:

Software Name	Purpose
HKL-2000	data collection
PHENIX	model building
PHENIX	refinement
HKL-2000	data reduction
HKL-2000	data scaling
PHENIX	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2014-07-30

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2014-07-30
Type: Initial release
Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description

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4LA1

Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD

Crystal structure of SjTGR complex with FAD

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)