Structure of PDB 5hae Chain A Binding Site BS02

Receptor Information
>5hae Chain A (length=155) Species: 13249 (Rhodnius prolixus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVTSIPTGCNALSGKIMSGFDANRFFTGDWYLTHSRDSEVPVRCEKYQTG
SNLQLNFNGKNGDVKCSGSTVSGNQGFYSFQCTTTSGGSFTSYMAVVETD
YANYALLYRCGLYGSTTPKDNFLLFNRQSSGEIPAGLSTKLNQLELTSLN
KLGCS
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain5hae Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hae Structure and Ligand-Binding Mechanism of a Cysteinyl Leukotriene-Binding Protein from a Blood-Feeding Disease Vector.
Resolution2.002 Å
Binding residue
(original residue number in PDB)
G60 K61 F91 Y114
Binding residue
(residue number reindexed from 1)
G59 K60 F90 Y113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0030682 symbiont-mediated perturbation of host defenses
Cellular Component
GO:0005576 extracellular region

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Biological Process

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Cellular Component
External links
PDB RCSB:5hae, PDBe:5hae, PDBj:5hae
PDBsum5hae
PubMed27124118
UniProtQ7YT09

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