Structure of PDB 4ntf Chain A Binding Site BS01

Receptor Information
>4ntf Chain A (length=145) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKDEVALLATVTLVGVLLQAYFSLQVISARRAFHVSPPLTSGPPEFERVF
RAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLFYLFARLRYFQGYARS
AQLRLTPLYASARALWLLVAMAALGLLVHFLPGTLRTALFRWLQM
Ligand information
Ligand IDGTX
InChIInChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1
InChIKeyHXJDWCWJDCOHDG-RYUDHWBXSA-O
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O)C(=O)NCC(O)=O
CACTVS 3.341CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(O)=O)C(=O)NCC(O)=O
ACDLabs 10.04O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]
OpenEye OEToolkits 1.5.0CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]
FormulaC16 H30 N3 O6 S
NameS-HEXYLGLUTATHIONE
ChEMBL
DrugBank
ZINC
PDB chain4ntf Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ntf To be published
Resolution2.65 Å
Binding residue
(original residue number in PDB)		N55 E58 Y59 R104 L108 W116
Binding residue
(residue number reindexed from 1)		N55 E58 Y59 R104 L108 W116
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ntf, PDBe:4ntf, PDBj:4ntf
PDBsum4ntf
PubMed
UniProtQ60860|LTC4S_MOUSE Leukotriene C4 synthase (Gene Name=Ltc4s)

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