Structure of PDB 5ebk Chain B

Receptor sequence

>5ebkB (length=487) Species: 5671 (Leishmania infantum) [Search protein sequence]

SRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGGT
CVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKNK
VVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLETL
DTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIAV
EFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVRT
NLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAGV
RTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVFG
GKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLMH
NISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAKI
SDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLS

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)	L47 C51 C56 K59 Y197 E201 G458 H460 E465 E484 K485
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	RDS	B	L399 H461 E466	L398 H460 E465
BS02	RDS	B	S395 F396 L399 E467	S394 F395 L398 E466
BS03	FAD	B	G11 G13 S14 G15 V34 D35 A46 A47 G50 T51 C52 V55 G56 K60 G127 A159 T160 S178 Y198 R287 R290 G326 D327 T335	G10 G12 S13 G14 V33 D34 A45 A46 G49 T50 C51 V54 G55 K59 G126 A158 T159 S177 Y197 R286 R289 G325 D326 T334
BS04	RDS	B	C52 V53 C57 Y110 T335	C51 V52 C56 Y109 T334
BS05	RDS	B	L167 Y221 R222 R228 N254 I285	L166 Y220 R221 R227 N253 I284
BS06	RDS	B	R222 D224 N252	R221 D223 N251

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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