Structure of PDB 7bia Chain A Binding Site BS02

Receptor Information
>7bia Chain A (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY
GQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDL
RCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQIS
FADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYV
NLPINGNGKQ
Ligand information
Ligand IDTVQ
InChIInChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3/t9-/m1/s1
InChIKeyLELAOEBVZLPXAZ-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S@@](=O)CCCN=C=S
OpenEye OEToolkits 2.0.7CS(=O)CCCN=C=S
CACTVS 3.385C[S](=O)CCCN=C=S
FormulaC5 H9 N O S2
Name1-isothiocyanato-3-methylsulfinyl-propane;
iberin
ChEMBL
DrugBank
ZINCZINC000004642679
PDB chain7bia Chain A Residue 403 [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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PDB7bia Role of human salivary enzymes in bitter taste perception.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		R14 I105 Y109
Binding residue
(residue number reindexed from 1)		R14 I105 Y109
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004602 glutathione peroxidase activity
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0008432 JUN kinase binding
GO:0016740 transferase activity
GO:0019207 kinase regulator activity
GO:0035730 S-nitrosoglutathione binding
GO:0035731 dinitrosyl-iron complex binding
GO:0070026 nitric oxide binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0002674 negative regulation of acute inflammatory response
GO:0006469 negative regulation of protein kinase activity
GO:0006629 lipid metabolic process
GO:0006693 prostaglandin metabolic process
GO:0006749 glutathione metabolic process
GO:0006805 xenobiotic metabolic process
GO:0007417 central nervous system development
GO:0009890 negative regulation of biosynthetic process
GO:0010804 negative regulation of tumor necrosis factor-mediated signaling pathway
GO:0032691 negative regulation of interleukin-1 beta production
GO:0032720 negative regulation of tumor necrosis factor production
GO:0032872 regulation of stress-activated MAPK cascade
GO:0032873 negative regulation of stress-activated MAPK cascade
GO:0032930 positive regulation of superoxide anion generation
GO:0035726 common myeloid progenitor cell proliferation
GO:0035732 nitric oxide storage
GO:0043066 negative regulation of apoptotic process
GO:0043124 negative regulation of canonical NF-kappaB signal transduction
GO:0043407 negative regulation of MAP kinase activity
GO:0043409 negative regulation of MAPK cascade
GO:0043508 negative regulation of JUN kinase activity
GO:0043651 linoleic acid metabolic process
GO:0048147 negative regulation of fibroblast proliferation
GO:0051122 hepoxilin biosynthetic process
GO:0051771 negative regulation of nitric-oxide synthase biosynthetic process
GO:0070372 regulation of ERK1 and ERK2 cascade
GO:0070373 negative regulation of ERK1 and ERK2 cascade
GO:0070664 negative regulation of leukocyte proliferation
GO:0071222 cellular response to lipopolysaccharide
GO:0071638 negative regulation of monocyte chemotactic protein-1 production
GO:0098869 cellular oxidant detoxification
GO:1901687 glutathione derivative biosynthetic process
GO:2001237 negative regulation of extrinsic apoptotic signaling pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0031982 vesicle
GO:0034774 secretory granule lumen
GO:0070062 extracellular exosome
GO:0097057 TRAF2-GSTP1 complex
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bia, PDBe:7bia, PDBj:7bia
PDBsum7bia
PubMed35344726
UniProtP09211|GSTP1_HUMAN Glutathione S-transferase P (Gene Name=GSTP1)

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