Structure of PDB 4apn Chain B

Receptor sequence

>4apnB (length=488) Species: 5671 (Leishmania infantum) [Search protein sequence]

MSRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGG
TCVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKN
KVVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLET
LDTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIA
VEFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVR
TNLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAG
VRTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVF
GGKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLM
HNISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAK
ISDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLS

3D structure

PDB

4apn Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.

Chain

Resolution

3.2 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	B	G11 G13 S14 V34 D35 A46 G50 T51 G56 C57 K60 G127 A159 T160 R287 R290 G326 D327 L334 T335	G11 G13 S14 V34 D35 A46 G50 T51 G56 C57 K60 G127 A159 T160 R287 R290 G326 D327 L334 T335
BS02	NDP	B	K60 G196 G197 Y198 I199 E202 Y221 R222 R228 N254 A284 I285 G286 R287 M333 A365	K60 G196 G197 Y198 I199 E202 Y221 R222 R228 N254 A284 I285 G286 R287 M333 A365
BS03	JV0	B	F396 E467	F396 E467
BS04	JV0	B	L17 E18 W21 Y110	L17 E18 W21 Y110
BS05	JV0	B	S109 Y110 M113	S109 Y110 M113

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:4apn, PDBe:4apn, PDBj:4apn
PDBsum	4apn
PubMed	23733388
UniProt	A4HSF7

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