Structure of PDB 8czl Chain A Binding Site BS02

Receptor Information
>8czl Chain A (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
YVCQLKFPSGNYPPCIGDNRDLLVHWCHGAPGVIYMLIQAYKVFREEKYL
CDAYQCADVIWQYGLLKKGYGLCHGSAGNAYAFLTLYNLTQDMKYLYRAC
KFAEWCLEYGEHGCRTPDTPFSLFEGMAGTIYFLADLLVPTKARFPAFEL
Ligand information
Ligand IDGSM
InChIInChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKeyQTQDDTSVRVWHMO-BQBZGAKWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
CACTVS 3.341CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.5.0CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC
OpenEye OEToolkits 1.5.0CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
FormulaC11 H19 N3 O6 S
NameL-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE;
S-METHYL-GLUTATHIONE
ChEMBLCHEMBL1233129
DrugBankDB04701
ZINCZINC000001532230
PDB chain8czl Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8czl The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		R4 Y62 L272 H274 C276 K317 C322 H323 R364 P366 D367 E374
Binding residue
(residue number reindexed from 1)		R5 Y63 L273 H275 C277 K318 C323 H324 R365 P367 D368 E375
Annotation score2
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:8czl, PDBe:8czl, PDBj:8czl
PDBsum8czl
PubMed36634136
UniProtO43813|LANC1_HUMAN Glutathione S-transferase LANCL1 (Gene Name=LANCL1)

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