Structure of PDB 1zl9 Chain B Binding Site BS01

Receptor Information
>1zl9 Chain B (length=207) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSYKLTYFNGRGAGEVSRQIFAYAGQQYEDNRVTQEQWPALKETCAAPF
GQLPFLEVDGKKLAQSHAIARFLAREFKLNGKTAWEEAQVNSLADQYKDY
SSEARPYFYAVMGFGPGDVETLKKDIFLPAFEKFYGFLVNFLKASGSGFL
VGDSLTWIDLAIAQHSADLIAKGGDFSKFPELKAHAEKIQAIPQIKKWIE
TRPVTPF
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 chain1zl9 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zl9 Crystal structure of a major nematode C.elegans specific GST (CE01613)
Resolution2.01 Å
Binding residue
(original residue number in PDB)		F9 W39 K43 Q52 L53 Q65 S66
Binding residue
(residue number reindexed from 1)		F9 W39 K43 Q52 L53 Q65 S66
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y8 A14 R19 V111
Catalytic site (residue number reindexed from 1) Y8 A14 R19 V111
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
Biological Process
GO:0045087 innate immune response
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zl9, PDBe:1zl9, PDBj:1zl9
PDBsum1zl9
PubMed
UniProtQ09596|GST5_CAEEL Probable glutathione S-transferase 5 (Gene Name=gst-5)

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