Structure of PDB 8pld Chain B

Receptor sequence

>8pldB (length=587) Species: 6183 (Schistosoma mansoni) [Search protein sequence]

GTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSN
GSAIQKCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESK
YDYDLIVIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCV
NVGCIPKKLMHQAGLLSHALEDAEHFGWSLDRSKISHNWSTMVEGVQSHI
GSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITDKNQKVSTITGNKIIL
ATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALECAGFL
ASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQL
KVVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETV
GVKLDKNGRVVCTDDEQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARR
LFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDKDIEVYHSNF
KPLEWTVAHEDNVCYMKLVCRKSDNMRVLGLHVLGPNAGEITQGYAVAIK
MGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIV

3D structure

PDB

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

Chain

Resolution

1.85 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	B	S117 G118 D137 Y138 T153 C154 G158 C159 K162 G228 T257 Y296 R393 G432 D433 Q440 L441 T442	S112 G113 D132 Y133 T148 C149 G153 C154 K157 G223 T252 Y291 R388 G427 D428 Q435 L436 T437
BS02	T9Q	B	L320 G333 D334 F343 K345	L315 G328 D329 F338 K340
BS03	T9Q	B	Y296 F324 L441 T471	Y291 F319 L436 T466

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

View graph for
Cellular Component

External links

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

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