Structure of PDB 6er5 Chain A

Receptor sequence
>6er5A (length=488) Species: 5671 (Leishmania infantum) [Search protein sequence]
MSRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGG
TCVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKN
KVVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLET
LDTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIA
VEFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVR
TNLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAG
VRTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVF
GGKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLM
HNISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAK
ISDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLS
3D structure
PDB6er5 Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
ChainA
Resolution3.37 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C52 C57 K60 Y198 E202 H461 E466 E485 K486
Catalytic site (residue number reindexed from 1) C52 C57 K60 Y198 E202 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)		 Binding affinity
BS01 FAD A G11 G13 G15 V34 D35 V36 A46 A47 G50 T51 C52 G56 C57 K60 G127 T160 Y198 R287 R290 G326 D327 M333 L334 T335 G11 G13 G15 V34 D35 V36 A46 A47 G50 T51 C52 G56 C57 K60 G127 T160 Y198 R287 R290 G326 D327 M333 L334 T335
BS02 BVN A Y221 R222 R228 I285 Y221 R222 R228 I285
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:6er5, PDBe:6er5, PDBj:6er5
PDBsum6er5
PubMed30475811
UniProtA4HSF7

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