Structure of PDB 5ebk Chain A

Receptor sequence

>5ebkA (length=486) Species: 5671 (Leishmania infantum) [Search protein sequence]

MSRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGG
TCVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKN
KVVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLET
LDTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIA
VEFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVR
TNLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAG
VRTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVF
GGKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLM
HNISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAK
ISDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEK

3D structure

PDB

5ebk Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.

Chain

Resolution

3.51 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	FAD	A	G11 G13 S14 D35 V36 A46 A47 G50 T51 C52 G56 K60 G127 A159 T160 G161 S178 Y198 R287 R290 G326 D327 M333 L334 T335 A338	G11 G13 S14 D35 V36 A46 A47 G50 T51 C52 G56 K60 G127 A159 T160 G161 S178 Y198 R287 R290 G326 D327 M333 L334 T335 A338
BS02	RDS	A	C52 V53 Y110	C52 V53 Y110
BS03	RDS	A	Y221 R222 R228 N254 I285	Y221 R222 R228 N254 I285
BS04	RDS	A	R222 D224 N252	R222 D224 N252
BS05	RDS	A	H461 E466	H461 E466

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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Biological Process

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Cellular Component

External links

PDB	RCSB:5ebk, PDBe:5ebk, PDBj:5ebk
PDBsum	5ebk
PubMed	28098499
UniProt	A4HSF7

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