Structure of PDB 8d0v Chain B Binding Site BS02

Receptor Information
>8d0v Chain B (length=400) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAQRAFPNPYADYNKSLAEGYFDAAGRLTPEFSQRLTNKIRELLQQMER
GLKSADPRDGTGYTGWAGIAVLYLHLYDVFGDPAYLQLAHGYVKQSLNCL
TKRSITFLCGDAGPLAVAAVLYHKMNNEKQAEDCITRLIHLNKIDPHAPN
EMLYGRIGYIYALLFVNKNFGVEKIPQSHIQQICETILTSGENLARKRNF
TAKSPLMYEWYQEYYVGAAHGLAGIYYYLMQPSLQVSQGKLHSLVKPSVD
YVCQLKFPSGNYPPAIGDNRDLLVHWCHGAPGVIYMLIQAYKVFREEKYL
CDAYQCADVIWQYGLLKKGYGLCHGSAGNAYAFLTLYNLTQDMKYLYRAC
KFAEWCLEYGEHGCRTPDTPFSLFEGMAGTIYFLADLLVPTKARFPAFEL
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 chain8d0v Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d0v The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		R4 L272 H274 C276 H277 K317 H323 R364 P366 D367 E374
Binding residue
(residue number reindexed from 1)		R5 L273 H275 C277 H278 K318 H324 R365 P367 D368 E375
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004930 G protein-coupled receptor activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0017124 SH3 domain binding
GO:0043295 glutathione binding
GO:0046872 metal ion binding
GO:0050750 low-density lipoprotein particle receptor binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0031179 peptide modification
GO:1990748 cellular detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8d0v, PDBe:8d0v, PDBj:8d0v
PDBsum8d0v
PubMed36634136
UniProtO43813|LANC1_HUMAN Glutathione S-transferase LANCL1 (Gene Name=LANCL1)

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