Structure of PDB 2x50 Chain B Binding Site BS03

Receptor Information
>2x50 Chain B (length=487) Species: 5671 (Leishmania infantum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGGT
CVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKNK
VVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLETL
DTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIAV
EFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVRT
NLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAGV
RTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVFG
GKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLMH
NISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAKI
SDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLS
Ligand information
Ligand IDAG
InChIInChI=1S/Ag/q+1
InChIKeyFOIXSVOLVBLSDH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Ag+]
FormulaAg
NameSILVER ION
ChEMBLCHEMBL1230866
DrugBankDB14521
ZINC
PDB chain2x50 Chain B Residue 1491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2x50 Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C444 M447
Binding residue
(residue number reindexed from 1)		C443 M446
Annotation score1
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.
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2x50, PDBe:2x50, PDBj:2x50
PDBsum2x50
PubMed24900299
UniProtA4HSF7

[Back to BioLiP]