Structure of PDB 2yau Chain B

Receptor sequence

>2yauB (length=488) Species: 5671 (Leishmania infantum) [Search protein sequence]

MSRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGG
TCVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKN
KVVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLET
LDTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIA
VEFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVR
TNLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAG
VRTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVF
GGKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLM
HNISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAK
ISDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLS

3D structure

PDB

2yau A Gold-Containing Drug Against Parasitic Polyamine Metabolism: The X-Ray Structure of Trypanothione Reductase from Leishmania Infantum in Complex with Auranofin Reveals a Dual Mechanism of Enzyme Inhibition.

Chain

Resolution

3.5 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	L48 C52 C57 K60 Y198 E202 G459 H461 E466 E485 K486
Catalytic site (residue number reindexed from 1)	L48 C52 C57 K60 Y198 E202 G459 H461 E466 E485 K486
Enzyme Commision number	1.8.1.12: trypanothione-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	TS8	B	F396 L399 H461 E467	F396 L399 H461 E467
BS02	FAD	B	G11 G13 G15 D35 V36 A46 A47 G50 T51 C52 G56 C57 K60 F126 G127 A159 T160 R287 R290 D327 M333 L334 T335	G11 G13 G15 D35 V36 A46 A47 G50 T51 C52 G56 C57 K60 F126 G127 A159 T160 R287 R290 D327 M333 L334 T335
BS03	NDP	B	G197 Y198 I199 E202 Y221 R222 R228 N254 A284 I285 G286 R287 M333 A365	G197 Y198 I199 E202 Y221 R222 R228 N254 A284 I285 G286 R287 M333 A365
BS04	AU	B	C52 C57 T335	C52 C57 T335

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0004362	glutathione-disulfide reductase (NADPH) activity
GO:0015036	disulfide oxidoreductase activity
GO:0015042	trypanothione-disulfide reductase (NADPH) activity
GO:0016491	oxidoreductase activity
GO:0016668	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
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

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Molecular Function

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Cellular Component

External links

PDB	RCSB:2yau, PDBe:2yau, PDBj:2yau
PDBsum	2yau
PubMed	21833767
UniProt	A4HSF7

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