Structure of PDB 8ix7 Chain A Binding Site BS01

Receptor Information
>8ix7 Chain A (length=214) Species: 39946 (Oryza sativa Indica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTVYGPMISPAVARVAACLLEKDVPFQVEPVDMSKGEHKSPSFLKLQPFG
QVPAFKDSLTTVFESRAICRYICDQYADSGNKTLMGRKEDGVVGRAAIEK
WIEAEGQSFNPPSLAMAFQLAFAPFMGRATDMAVVEQNEAKLVKVLDVYE
QWLGENQYFAGDEFSLADLVHMPNTDLLVRKTNKAGLFTERKNLARWWDE
VSARPSWKKVVELQ
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 chain8ix7 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ix7 Functional significance of serine 13 in the active site of rice Phi-class glutathione S-transferase F3.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
Q55 V56 E68 S69
Binding residue
(residue number reindexed from 1)
Q51 V52 E64 S65
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0043295 glutathione binding
Biological Process
GO:0006749 glutathione metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:8ix7, PDBe:8ix7, PDBj:8ix7
PDBsum8ix7
PubMed
UniProtA2XC69

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