Structure of PDB 4ntb Chain A Binding Site BS01

Receptor Information
>4ntb Chain A (length=146) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHKDEVALLATVTLVGVLLQAYFSLQVISARRAFHVSPPLTSGPPEFERV
FRAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLFYLFARLRYFQGYAR
SAQLRLTPLYASARALWLLVAMAALGLLVHFLPGTLRTALFRWLQM
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 chain4ntb Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ntb Mus Musculus LTC4 synthase in GSH complex form
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R51 N55 E58 Y59 Y97 R104 L108
Binding residue
(residue number reindexed from 1)		R52 N56 E59 Y60 Y98 R105 L109
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.-
4.4.1.20: leukotriene-C4 synthase.
Gene Ontology
Molecular Function
GO:0004464 leukotriene-C4 synthase activity
GO:0008047 enzyme activator activity
GO:0008289 lipid binding
GO:0016740 transferase activity
GO:0016829 lyase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0006691 leukotriene metabolic process
GO:0019370 leukotriene biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005640 nuclear outer membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0031965 nuclear membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ntb, PDBe:4ntb, PDBj:4ntb
PDBsum4ntb
PubMed
UniProtQ60860|LTC4S_MOUSE Leukotriene C4 synthase (Gene Name=Ltc4s)

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