Structure of PDB 8ple Chain A

Receptor sequence

>8pleA (length=588) Species: 6183 (Schistosoma mansoni) [Search protein sequence]

GTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSN
GSAIQKCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESK
YDYDLIVIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCV
NVGCIPKKLMHQAGLLSHALEDAEHFGWSLDRSKISHNWSTMVEGVQSHI
GSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITDKNQKVSTITGNKIIL
ATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALECAGFL
ASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQL
KVVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETV
GVKLDKNGRVVCTDDEQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARR
LFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDKDIEVYHSNF
KPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVLGPNAGEITQGYAVAI
KMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIV

3D structure

PDB

8ple Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.

Chain

Resolution

1.94 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

1.8.1.9: thioredoxin-disulfide reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)
BS01	FAD	A	G118 D137 Y138 G152 T153 C154 G158 C159 K162 K227 G228 T257 Y296 R393 G432 D433 Q440 L441 T442	G113 D132 Y133 G147 T148 C149 G153 C154 K157 K222 G223 T252 Y291 R388 G427 D428 Q435 L436 T437
BS02	VZS	A	Y138 P141 K241	Y133 P136 K236
BS03	VZS	A	H173 G303 S307 M336 H339 V341 P476	H168 G298 S302 M331 H334 V336 P471
BS04	VZS	A	L320 E330 G333 D334 E337 F343 K345	L315 E325 G328 D329 E332 F338 K340

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0004362	glutathione-disulfide reductase (NADPH) activity
GO:0004791	thioredoxin-disulfide reductase (NADPH) activity
GO:0016491	oxidoreductase activity
GO:0016668	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
GO:0046872	metal ion binding
GO:0050660	flavin adenine dinucleotide binding

	Biological Process
GO:0006749	glutathione metabolic process
GO:0034599	cellular response to oxidative stress
GO:0045454	cell redox homeostasis
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005739	mitochondrion
GO:0005829	cytosol

View graph for
Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8ple, PDBe:8ple, PDBj:8ple
PDBsum	8ple
PubMed	38238498
UniProt	Q962Y6

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