Structure of PDB 3e73 Chain A Binding Site BS02

Receptor Information
>3e73 Chain A (length=405) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDIEFMAQRAFPNPYADYNKSLAEGYFDAAGRLTPEFSQRLTNKIRELL
QQMERGLKSADPRDGTGYTGWAGIAVLYLHLYDVFGDPAYLQLAHGYVKQ
SLNCLTKRSITFLCGDAGPLAVAAVLYHKMNNEKQAEDCITRLIHLNKID
PHAPNEMLYGRIGYIYALLFVNKNFGVEKIPQSHIQQICETILTSGENLA
RKRNFTAKSPLMYEWYQEYYVGAAHGLAGIYYYLMQPSLQVSQGKLHSLV
KPSVDYVCQLKFPSGNYPPCIGDNRDLLVHWCHGAPGVIYMLIQAYKVFR
EEKYLCDAYQCADVIWQYGLLKKGYGLCHGSAGNAYAFLTLYNLTQDMKY
LYRACKFAEWCLEYGEHGCRTPDTPFSLFEGMAGTIYFLADLLVPTKARF
PAFEL
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 chain3e73 Chain A Residue 502 [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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PDB3e73 Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R4 L272 H274 K317 H323 R364 P366 D367 E374
Binding residue
(residue number reindexed from 1)		R10 L278 H280 K323 H329 R370 P372 D373 E380
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=3.15,Kd=0.7mM
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:3e73, PDBe:3e73, PDBj:3e73
PDBsum3e73
PubMed19528316
UniProtO43813|LANC1_HUMAN Glutathione S-transferase LANCL1 (Gene Name=LANCL1)

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