Structure of PDB 9f7k Chain B Binding Site BS02

Receptor Information
>9f7k Chain B (length=220) Species: 663279 (Drosophila melanogaster American nodavirus (ANV) SW-2009a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGIVLYGTDLSPCVRTVKLTLKVLNLDYEYKEVNLQAGEHLSEEYVKKNP
QHTVPMLDDNGTFIWDSHAIAAYLVDKYAKSDELYPKDLAKRAIVNQRLF
FDASVIYASIANVSRPFWINGVTEVPQEKLDAVHQGLKLLETFLGNSPYL
AGDSLTLADLSTGPTVSAVPAAVDIDPATYPKVTAWLDRLNKLPYYKEIN
EAPAQSYVAFLRSKWTKLGD
Ligand information
Ligand IDGS8
InChIInChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)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
InChIKeyPFXSQLOWBQWLCX-WDSKDSINSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(C(=O)O)N
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO
OpenEye OEToolkits 1.9.2C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)N[CH](CSO)C(=O)NCC(O)=O)C(O)=O
FormulaC10 H17 N3 O7 S
NameS-Hydroxy-Glutathione
ChEMBL
DrugBank
ZINCZINC000219973738
PDB chain9f7k Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9f7k Structural and Thermodynamic Insights into Dimerization Interfaces of Drosophila Glutathione Transferases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S14 C16 H43 H55 T56 V57 D69 S70 Y110 R118
Binding residue
(residue number reindexed from 1)		S11 C13 H40 H52 T53 V54 D66 S67 Y107 R115
Annotation score4
External links